8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide

C185H179F4N29O18 — CID 161235529

IUPAC8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide
SMILESCC1(C)CCc2nc3cc(CC(=O)c4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(CC(=O)c4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(CC(=O)c4ccccn4)ccc3c(=O)n2C1.CC1(C)Cc2nc3cc(C(=O)Nc4ccccn4)ccc3c(=O)n2C1.CC1(C)Cc2nc3cc(CC(=O)c4ccccn4)ccc3c(=O)n2C1.CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CN(C(=O)c1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3.O=C(Cc1ccc2c(=O)n3c(nc2c1)CCC(F)(F)CC3)c1ccccn1.O=C(Nc1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC(F)(F)CC3
InChIInChI=1S/2C22H22N2O2.2C21H22N4O2.C21H21N3O2.C20H17F2N3O2.C20H19N3O2.C19H16F2N4O2.C19H18N4O2/c2*1-22(2)11-10-20-23-18-12-15(8-9-17(18)21(26)24(20)14-22)13-19(25)16-6-4-3-5-7-16;1-21(2)10-9-18-23-16-12-14(7-8-15(16)20(27)25(18)13-21)19(26)24(3)17-6-4-5-11-22-17;1-21(2)10-9-18-23-17-12-14(7-8-15(17)19(26)25(18)13-21)24(3)20(27)16-6-4-5-11-22-16;1-21(2)9-8-19-23-17-11-14(6-7-15(17)20(26)24(19)13-21)12-18(25)16-5-3-4-10-22-16;21-20(22)7-6-18-24-16-11-13(12-17(26)15-3-1-2-9-23-15)4-5-14(16)19(27)25(18)10-8-20;1-20(2)11-18-22-16-9-13(6-7-14(16)19(25)23(18)12-20)10-17(24)15-5-3-4-8-21-15;20-19(21)7-6-16-23-14-11-12(17(26)24-15-3-1-2-9-22-15)4-5-13(14)18(27)25(16)10-8-19;1-19(2)10-16-21-14-9-12(6-7-13(14)18(25)23(16)11-19)17(24)22-15-5-3-4-8-20-15/h2*3-9,12H,10-11,13-14H2,1-2H3;2*4-8,11-12H,9-10,13H2,1-3H3;3-7,10-11H,8-9,12-13H2,1-2H3;1-5,9,11H,6-8,10,12H2;3-9H,10-12H2,1-2H3;1-5,9,11H,6-8,10H2,(H,22,24,26);3-9H,10-11H2,1-2H3,(H,20,22,24)
InChIKeyUZHVTBXDRPKSGY-UHFFFAOYSA-N
MW3172.64 g/mol
LogP28.49
Rot. Bonds23

About 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide

8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide (PubChem CID 161235529) has the molecular formula C185H179F4N29O18 and a molecular weight of 3172.64 g/mol. Its IUPAC name is 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide
PubChem CID161235529
Molecular FormulaC185H179F4N29O18
Molecular Weight3172.64 g/mol
Exact Mass3170.39
IUPAC Name8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide
SMILESCC1(C)CCc2nc3cc(CC(=O)c4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(CC(=O)c4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(CC(=O)c4ccccn4)ccc3c(=O)n2C1.CC1(C)Cc2nc3cc(C(=O)Nc4ccccn4)ccc3c(=O)n2C1.CC1(C)Cc2nc3cc(CC(=O)c4ccccn4)ccc3c(=O)n2C1.CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CN(C(=O)c1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3.O=C(Cc1ccc2c(=O)n3c(nc2c1)CCC(F)(F)CC3)c1ccccn1.O=C(Nc1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC(F)(F)CC3
InChIInChI=1S/2C22H22N2O2.2C21H22N4O2.C21H21N3O2.C20H17F2N3O2.C20H19N3O2.C19H16F2N4O2.C19H18N4O2/c2*1-22(2)11-10-20-23-18-12-15(8-9-17(18)21(26)24(20)14-22)13-19(25)16-6-4-3-5-7-16;1-21(2)10-9-18-23-16-12-14(7-8-15(16)20(27)25(18)13-21)19(26)24(3)17-6-4-5-11-22-17;1-21(2)10-9-18-23-17-12-14(7-8-15(17)19(26)25(18)13-21)24(3)20(27)16-6-4-5-11-22-16;1-21(2)9-8-19-23-17-11-14(6-7-15(17)20(26)24(19)13-21)12-18(25)16-5-3-4-10-22-16;21-20(22)7-6-18-24-16-11-13(12-17(26)15-3-1-2-9-23-15)4-5-14(16)19(27)25(18)10-8-20;1-20(2)11-18-22-16-9-13(6-7-14(16)19(25)23(18)12-20)10-17(24)15-5-3-4-8-21-15;20-19(21)7-6-16-23-14-11-12(17(26)24-15-3-1-2-9-22-15)4-5-13(14)18(27)25(16)10-8-19;1-19(2)10-16-21-14-9-12(6-7-13(14)18(25)23(16)11-19)17(24)22-15-5-3-4-8-20-15/h2*3-9,12H,10-11,13-14H2,1-2H3;2*4-8,11-12H,9-10,13H2,1-3H3;3-7,10-11H,8-9,12-13H2,1-2H3;1-5,9,11H,6-8,10,12H2;3-9H,10-12H2,1-2H3;1-5,9,11H,6-8,10H2,(H,22,24,26);3-9H,10-11H2,1-2H3,(H,20,22,24)
InChIKeyUZHVTBXDRPKSGY-UHFFFAOYSA-N
XLogP28.49
TPSA588.41 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds23
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003172.64
LogP ≤ 528.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide (CID 161235529) is 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide is CC1(C)CCc2nc3cc(CC(=O)c4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(CC(=O)c4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(CC(=O)c4ccccn4)ccc3c(=O)n2C1.CC1(C)Cc2nc3cc(C(=O)Nc4ccccn4)ccc3c(=O)n2C1.CC1(C)Cc2nc3cc(CC(=O)c4ccccn4)ccc3c(=O)n2C1.CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CN(C(=O)c1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3.O=C(Cc1ccc2c(=O)n3c(nc2c1)CCC(F)(F)CC3)c1ccccn1.O=C(Nc1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC(F)(F)CC3.
What is the InChIKey of 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide?
The InChIKey is UZHVTBXDRPKSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N2O2.2C21H22N4O2.C21H21N3O2.C20H17F2N3O2.C20H19N3O2.C19H16F2N4O2.C19H18N4O2/c2*1-22(2)11-10-20-23-18-12-15(8-9-17(18)21(26)24(20)14-22)13-19(25)16-6-4-3-5-7-16;1-21(2)10-9-18-23-16-12-14(7-8-15(16)20(27)25(18)13-21)19(26)24(3)17-6-4-5-11-22-17;1-21(2)10-9-18-23-17-12-14(7-8-15(17)19(26)25(18)13-21)24(3)20(27)16-6-4-5-11-22-16;1-21(2)9-8-19-23-17-11-14(6-7-15(17)20(26)24(19)13-21)12-18(25)16-5-3-4-10-22-16;21-20(22)7-6-18-24-16-11-13(12-17(26)15-3-1-2-9-23-15)4-5-14(16)19(27)25(18)10-8-20;1-20(2)11-18-22-16-9-13(6-7-14(16)19(25)23(18)12-20)10-17(24)15-5-3-4-8-21-15;20-19(21)7-6-16-23-14-11-12(17(26)24-15-3-1-2-9-22-15)4-5-13(14)18(27)25(16)10-8-19;1-19(2)10-16-21-14-9-12(6-7-13(14)18(25)23(16)11-19)17(24)22-15-5-3-4-8-20-15/h2*3-9,12H,10-11,13-14H2,1-2H3;2*4-8,11-12H,9-10,13H2,1-3H3;3-7,10-11H,8-9,12-13H2,1-2H3;1-5,9,11H,6-8,10,12H2;3-9H,10-12H2,1-2H3;1-5,9,11H,6-8,10H2,(H,22,24,26);3-9H,10-11H2,1-2H3,(H,20,22,24).
What are the key properties of 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide?
8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide has a molecular weight of 3172.64 g/mol, XLogP of 28.49, 23 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 161235529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).