8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C168H176N24O12 — CID 159176056

IUPAC8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESC/C(=C\c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC(Cc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC1(C)CCc2nc3cc(C(=O)Cc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(C4CC4c4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(COc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(Cc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(Oc4ccccn4)ccc3c(=O)n2C1
InChIInChI=1S/C22H23N3O2.C22H23N3O.C22H25N3O.C22H23N3O.C21H21N3O2.C20H21N3O2.C20H21N3O.C19H19N3O2/c1-14(17-6-4-5-11-23-17)20(26)15-7-8-16-18(12-15)24-19-9-10-22(2,3)13-25(19)21(16)27;1-22(2)9-8-20-24-19-11-14(6-7-15(19)21(26)25(20)13-22)16-12-17(16)18-5-3-4-10-23-18;2*1-15(18-6-4-5-11-23-18)12-16-7-8-17-19(13-16)24-20-9-10-22(2,3)14-25(20)21(17)26;1-21(2)9-8-19-23-17-11-14(6-7-16(17)20(26)24(19)13-21)18(25)12-15-5-3-4-10-22-15;1-20(2)9-8-17-22-16-11-14(12-25-18-5-3-4-10-21-18)6-7-15(16)19(24)23(17)13-20;1-20(2)9-8-18-22-17-12-14(11-15-5-3-4-10-21-15)6-7-16(17)19(24)23(18)13-20;1-19(2)9-8-16-21-15-11-13(24-17-5-3-4-10-20-17)6-7-14(15)18(23)22(16)12-19/h4-8,11-12,14H,9-10,13H2,1-3H3;3-7,10-11,16-17H,8-9,12-13H2,1-2H3;4-8,11,13,15H,9-10,12,14H2,1-3H3;4-8,11-13H,9-10,14H2,1-3H3;3-7,10-11H,8-9,12-13H2,1-2H3;3-7,10-11H,8-9,12-13H2,1-2H3;3-7,10,12H,8-9,11,13H2,1-2H3;3-7,10-11H,8-9,12H2,1-2H3/b;;;15-12+;;;;
InChIKeyKMHFKVJJFLXHDH-HTKSWDTBSA-N
MW2723.41 g/mol
LogP29.66
Rot. Bonds20

About 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 159176056) has the molecular formula C168H176N24O12 and a molecular weight of 2723.41 g/mol. Its IUPAC name is 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID159176056
Molecular FormulaC168H176N24O12
Molecular Weight2723.41 g/mol
Exact Mass2721.39
IUPAC Name8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESC/C(=C\c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC(Cc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC1(C)CCc2nc3cc(C(=O)Cc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(C4CC4c4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(COc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(Cc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(Oc4ccccn4)ccc3c(=O)n2C1
InChIInChI=1S/C22H23N3O2.C22H23N3O.C22H25N3O.C22H23N3O.C21H21N3O2.C20H21N3O2.C20H21N3O.C19H19N3O2/c1-14(17-6-4-5-11-23-17)20(26)15-7-8-16-18(12-15)24-19-9-10-22(2,3)13-25(19)21(16)27;1-22(2)9-8-20-24-19-11-14(6-7-15(19)21(26)25(20)13-22)16-12-17(16)18-5-3-4-10-23-18;2*1-15(18-6-4-5-11-23-18)12-16-7-8-17-19(13-16)24-20-9-10-22(2,3)14-25(20)21(17)26;1-21(2)9-8-19-23-17-11-14(6-7-16(17)20(26)24(19)13-21)18(25)12-15-5-3-4-10-22-15;1-20(2)9-8-17-22-16-11-14(12-25-18-5-3-4-10-21-18)6-7-15(16)19(24)23(17)13-20;1-20(2)9-8-18-22-17-12-14(11-15-5-3-4-10-21-15)6-7-16(17)19(24)23(18)13-20;1-19(2)9-8-16-21-15-11-13(24-17-5-3-4-10-20-17)6-7-14(15)18(23)22(16)12-19/h4-8,11-12,14H,9-10,13H2,1-3H3;3-7,10-11,16-17H,8-9,12-13H2,1-2H3;4-8,11,13,15H,9-10,12,14H2,1-3H3;4-8,11-13H,9-10,14H2,1-3H3;3-7,10-11H,8-9,12-13H2,1-2H3;3-7,10-11H,8-9,12-13H2,1-2H3;3-7,10,12H,8-9,11,13H2,1-2H3;3-7,10-11H,8-9,12H2,1-2H3/b;;;15-12+;;;;
InChIKeyKMHFKVJJFLXHDH-HTKSWDTBSA-N
XLogP29.66
TPSA434.84 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002723.41
LogP ≤ 529.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one with MolForge

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Launch Full Analysis

Related Compounds

8,8-difluoro-9-methyl-3-[(E)-2-pyridin-2-ylethenyl]-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-dimethyl-3-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8-methyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 158023693
3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-difluoro-7-methyl-3-[(E)-2-pyridin-2-ylethenyl]-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;2-[(E)-2-(7,7-dimethyl-11-oxo-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)ethenyl]pyridine-4-carbonitrile;2-[(E)-2-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)ethenyl]pyridine-4-carbonitrile;6-[(E)-2-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)ethenyl]pyridine-3-carbonitrile;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 159473816
3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-difluoro-7-methyl-3-[(E)-2-pyridin-2-ylethenyl]-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;7,7-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8-methyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 160898512
3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-difluoro-7-methyl-3-[(E)-2-pyridin-2-ylethenyl]-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;7,7-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 161680365
Ethyl 3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-phenylmethoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoate
CID 121294269
Ethyl 3-(2-((1-(2-((l-benzylpiperidin-4-yl)(pyridin-2-yl)carbamoyl)-5-methoxyphenyl)piperidin-4-yl)methoxy)pyridin-4-yl)-3-cyclopropylpropanoate
CID 121294271
Ethyl 3-cyclopropyl-3-[2-[1-[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]ethoxy]-4-pyridinyl]propanoate
CID 121294364
Ethyl 3-cyclopropyl-3-(2-((1-(2-((2,2-dimethylpropyl)(4,6-dimethylpyridin-2-yl)carbamoyl)-5-methoxyphenyl)piperidin-4-yl)methoxy)pyridin-4-yl)propanoate
CID 121294391
3-[2-[[1-[2-[(1-Benzylpiperidin-4-yl)-pyridin-2-ylcarbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]-3-cyclopropylpropanoic acid
CID 121294618
ethyl(3S)-3-cyclopropyl-3-(2-((1-(2-((2,2-dimethylpropyl)(6-methylpyridin-2-yl)carbamoyl)-5-methoxyphenyl)piperidin-4-yl)methoxy)pyridin-4-yl)propanoate
CID 121294621
(3S)-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]-3-(1-ethylcyclopropyl)propanoic acid
CID 121294625
ethyl(3S)-3-cyclopropyl-3-(2-((1-(2-((2,2-dimethylpropyl)(pyridin-2-yl)carbamoyl)-5-methoxyphenyl)piperidin-4-yl)methoxy)pyridin-4-yl)propanoate
CID 121294757

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 159176056) is 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is C/C(=C\c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC(Cc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC1(C)CCc2nc3cc(C(=O)Cc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(C4CC4c4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(COc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(Cc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(Oc4ccccn4)ccc3c(=O)n2C1.
What is the InChIKey of 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is KMHFKVJJFLXHDH-HTKSWDTBSA-N. The full InChI is InChI=1S/C22H23N3O2.C22H23N3O.C22H25N3O.C22H23N3O.C21H21N3O2.C20H21N3O2.C20H21N3O.C19H19N3O2/c1-14(17-6-4-5-11-23-17)20(26)15-7-8-16-18(12-15)24-19-9-10-22(2,3)13-25(19)21(16)27;1-22(2)9-8-20-24-19-11-14(6-7-15(19)21(26)25(20)13-22)16-12-17(16)18-5-3-4-10-23-18;2*1-15(18-6-4-5-11-23-18)12-16-7-8-17-19(13-16)24-20-9-10-22(2,3)14-25(20)21(17)26;1-21(2)9-8-19-23-17-11-14(6-7-16(17)20(26)24(19)13-21)18(25)12-15-5-3-4-10-22-15;1-20(2)9-8-17-22-16-11-14(12-25-18-5-3-4-10-21-18)6-7-15(16)19(24)23(17)13-20;1-20(2)9-8-18-22-17-12-14(11-15-5-3-4-10-21-15)6-7-16(17)19(24)23(18)13-20;1-19(2)9-8-16-21-15-11-13(24-17-5-3-4-10-20-17)6-7-14(15)18(23)22(16)12-19/h4-8,11-12,14H,9-10,13H2,1-3H3;3-7,10-11,16-17H,8-9,12-13H2,1-2H3;4-8,11,13,15H,9-10,12,14H2,1-3H3;4-8,11-13H,9-10,14H2,1-3H3;3-7,10-11H,8-9,12-13H2,1-2H3;3-7,10-11H,8-9,12-13H2,1-2H3;3-7,10,12H,8-9,11,13H2,1-2H3;3-7,10-11H,8-9,12H2,1-2H3/b;;;15-12+;;;;.
What are the key properties of 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 2723.41 g/mol, XLogP of 29.66, 20 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylcyclopropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-ylmethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-pyridin-2-yloxy-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(pyridin-2-yloxymethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropanoyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-pyridin-2-ylprop-1-enyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 159176056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).