
 N-(2,2-dimethoxyethyl)-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxamide

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.8388   -1.0423    2.3077 C   0  0  0  0  0
    1.2246   -0.8055    3.5658 O   0  0  0  0  0
    1.6064    0.4381    4.1606 C   0  0  0  0  0
    1.0003    1.6494    3.4196 C   0  0  0  0  0
   -0.4524    1.5667    3.3327 N   0  0  0  0  0
   -1.1754    2.4555    2.5840 C   0  0  0  0  0
   -0.6612    3.3445    1.9142 O   0  0  0  0  0
   -2.6568    2.2741    2.6562 C   0  0  0  0  0
   -3.4281    3.3595    2.4720 C   0  0  0  0  0
   -4.8213    3.2887    2.4586 N   0  0  0  0  0
   -5.4742    2.0699    2.6185 C   0  0  0  0  0
   -6.7604    1.9145    2.5867 N   0  0  0  0  0
   -7.5564    3.0423    2.3600 C   0  0  0  0  0
   -8.9417    2.8806    2.2784 C   0  0  0  0  0
   -9.7751    3.9772    2.0416 C   0  0  0  0  0
   -9.2269    5.2497    1.8875 C   0  0  0  0  0
   -7.8457    5.4242    1.9671 C   0  0  0  0  0
   -7.0187    4.3174    2.2011 C   0  0  0  0  0
   -5.5528    4.4649    2.2692 C   0  0  0  0  0
   -5.0624    5.5873    2.1579 O   0  0  0  0  0
   -4.6202    0.8681    2.8277 C   0  0  0  0  0
   -3.2868    0.9833    2.8335 C   0  0  0  0  0
    1.1131    0.4852    5.5081 O   0  0  0  0  0
    1.7990   -0.4225    6.3585 C   0  0  0  0  0
    1.6184   -2.0715    2.0107 H   0  0  0  0  0
    2.9251   -0.9268    2.3729 H   0  0  0  0  0
    1.4303   -0.3759    1.5435 H   0  0  0  0  0
    2.7000    0.5330    4.1782 H   0  0  0  0  0
    1.3952    1.7325    2.4020 H   0  0  0  0  0
    1.2357    2.5760    3.9547 H   0  0  0  0  0
   -0.9031    0.9840    4.0273 H   0  0  0  0  0
   -2.9918    4.3450    2.3144 H   0  0  0  0  0
   -9.3721    1.8890    2.3958 H   0  0  0  0  0
  -10.8510    3.8356    1.9760 H   0  0  0  0  0
   -9.8734    6.1041    1.7014 H   0  0  0  0  0
   -7.4153    6.4153    1.8424 H   0  0  0  0  0
   -5.1251   -0.0825    2.9457 H   0  0  0  0  0
   -2.6675    0.0994    2.9446 H   0  0  0  0  0
    1.6882   -1.4521    6.0076 H   0  0  0  0  0
    1.3621   -0.3493    7.3579 H   0  0  0  0  0
    2.8582   -0.1570    6.4239 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  3 23  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 22  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 19  1  0  0  0
 11 21  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
 23 24  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
 24 41  1  0  0  0
M  END

>  <Chemical Name>
N-(2,2-dimethoxyethyl)-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxamide

>  <PubChem CID>
5053439

>  <Formula>
C17H17N3O4

>  <Molecular Weight>
327.340000

>  <IUPAC Name>
N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide

>  <XlogP>
0.400

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC(CNC(=O)C1=CN2C(=NC3=CC=CC=C3C2=O)C=C1)OC

>  <Isomeric SMILES>
COC(CNC(=O)C1=CN2C(=NC3=CC=CC=C3C2=O)C=C1)OC

>  <InChI Std. ID>
InChI=1S/C17H17N3O4/c1-23-15(24-2)9-18-16(21)11-7-8-14-19-13-6-4-3-5-12(13)17(22)20(14)10-11/h3-8,10,15H,9H2,1-2H3,(H,18,21)

>  <InChI Key>
ALUUZCMRKPIBRQ-UHFFFAOYSA-N

