5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one

C179H173Cl4N15O22 — CID 160971575

IUPAC5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one
SMILESC=C1CCC(n2c(C)nc3cccc(CC(=O)COCc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CC(=O)c4cccc(Cl)c4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(C)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)c(Cl)c4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)c4ccccn4)c3c2=O)C(=O)C1
InChIInChI=1S/C27H28N2O3.C26H24Cl2N2O3.C26H25ClN2O3.C26H26N2O4.C26H26N2O3.C24H21ClN2O3.C24H23N3O3/c1-17-7-10-20(11-8-17)16-22(30)13-12-21-5-4-6-23-26(21)27(32)29(19(3)28-23)24-14-9-18(2)15-25(24)31;1-15-6-11-23(24(32)12-15)30-16(2)29-22-5-3-4-18(25(22)26(30)33)8-9-19(31)13-17-7-10-20(27)21(28)14-17;1-16-6-13-23(24(31)14-16)29-17(2)28-22-5-3-4-19(25(22)26(29)32)9-12-21(30)15-18-7-10-20(27)11-8-18;1-17-11-12-23(24(30)13-17)28-18(2)27-22-10-6-9-20(25(22)26(28)31)14-21(29)16-32-15-19-7-4-3-5-8-19;1-17-11-14-23(24(30)15-17)28-18(2)27-22-10-6-9-20(25(22)26(28)31)12-13-21(29)16-19-7-4-3-5-8-19;1-14-9-10-20(22(29)11-14)27-15(2)26-19-8-4-6-17(23(19)24(27)30)13-21(28)16-5-3-7-18(25)12-16;1-15-9-11-20(22(29)14-15)27-16(2)26-19-8-5-6-17(23(19)24(27)30)10-12-21(28)18-7-3-4-13-25-18/h4-8,10-11,24H,2,9,12-16H2,1,3H3;3-5,7,10,14,23H,1,6,8-9,11-13H2,2H3;3-5,7-8,10-11,23H,1,6,9,12-15H2,2H3;3-10,23H,1,11-16H2,2H3;3-10,23H,1,11-16H2,2H3;3-8,12,20H,1,9-11,13H2,2H3;3-8,13,20H,1,9-12,14H2,2H3
InChIKeySYIBTXZQBRKQRK-UHFFFAOYSA-N
MW3028.25 g/mol
LogP31.75
Rot. Bonds40

About 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one

5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one (PubChem CID 160971575) has the molecular formula C179H173Cl4N15O22 and a molecular weight of 3028.25 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one
PubChem CID160971575
Molecular FormulaC179H173Cl4N15O22
Molecular Weight3028.25 g/mol
Exact Mass3024.16
IUPAC Name5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one
SMILESC=C1CCC(n2c(C)nc3cccc(CC(=O)COCc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CC(=O)c4cccc(Cl)c4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(C)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)c(Cl)c4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)c4ccccn4)c3c2=O)C(=O)C1
InChIInChI=1S/C27H28N2O3.C26H24Cl2N2O3.C26H25ClN2O3.C26H26N2O4.C26H26N2O3.C24H21ClN2O3.C24H23N3O3/c1-17-7-10-20(11-8-17)16-22(30)13-12-21-5-4-6-23-26(21)27(32)29(19(3)28-23)24-14-9-18(2)15-25(24)31;1-15-6-11-23(24(32)12-15)30-16(2)29-22-5-3-4-18(25(22)26(30)33)8-9-19(31)13-17-7-10-20(27)21(28)14-17;1-16-6-13-23(24(31)14-16)29-17(2)28-22-5-3-4-19(25(22)26(29)32)9-12-21(30)15-18-7-10-20(27)11-8-18;1-17-11-12-23(24(30)13-17)28-18(2)27-22-10-6-9-20(25(22)26(28)31)14-21(29)16-32-15-19-7-4-3-5-8-19;1-17-11-14-23(24(30)15-17)28-18(2)27-22-10-6-9-20(25(22)26(28)31)12-13-21(29)16-19-7-4-3-5-8-19;1-14-9-10-20(22(29)11-14)27-15(2)26-19-8-4-6-17(23(19)24(27)30)13-21(28)16-5-3-7-18(25)12-16;1-15-9-11-20(22(29)14-15)27-16(2)26-19-8-5-6-17(23(19)24(27)30)10-12-21(28)18-7-3-4-13-25-18/h4-8,10-11,24H,2,9,12-16H2,1,3H3;3-5,7,10,14,23H,1,6,8-9,11-13H2,2H3;3-5,7-8,10-11,23H,1,6,9,12-15H2,2H3;3-10,23H,1,11-16H2,2H3;3-10,23H,1,11-16H2,2H3;3-8,12,20H,1,9-11,13H2,2H3;3-8,13,20H,1,9-12,14H2,2H3
InChIKeySYIBTXZQBRKQRK-UHFFFAOYSA-N
XLogP31.75
TPSA505.33 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds40
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003028.25
LogP ≤ 531.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide
CID 157765377
3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide
CID 159951679
3-chloro-N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(4-fluorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one;N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide
CID 160923082

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one?
The IUPAC name of 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one (CID 160971575) is 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one?
The canonical SMILES for 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one is C=C1CCC(n2c(C)nc3cccc(CC(=O)COCc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CC(=O)c4cccc(Cl)c4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(C)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)c(Cl)c4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)c4ccccn4)c3c2=O)C(=O)C1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one?
The InChIKey is SYIBTXZQBRKQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3.C26H24Cl2N2O3.C26H25ClN2O3.C26H26N2O4.C26H26N2O3.C24H21ClN2O3.C24H23N3O3/c1-17-7-10-20(11-8-17)16-22(30)13-12-21-5-4-6-23-26(21)27(32)29(19(3)28-23)24-14-9-18(2)15-25(24)31;1-15-6-11-23(24(32)12-15)30-16(2)29-22-5-3-4-18(25(22)26(30)33)8-9-19(31)13-17-7-10-20(27)21(28)14-17;1-16-6-13-23(24(31)14-16)29-17(2)28-22-5-3-4-19(25(22)26(29)32)9-12-21(30)15-18-7-10-20(27)11-8-18;1-17-11-12-23(24(30)13-17)28-18(2)27-22-10-6-9-20(25(22)26(28)31)14-21(29)16-32-15-19-7-4-3-5-8-19;1-17-11-14-23(24(30)15-17)28-18(2)27-22-10-6-9-20(25(22)26(28)31)12-13-21(29)16-19-7-4-3-5-8-19;1-14-9-10-20(22(29)11-14)27-15(2)26-19-8-4-6-17(23(19)24(27)30)13-21(28)16-5-3-7-18(25)12-16;1-15-9-11-20(22(29)14-15)27-16(2)26-19-8-5-6-17(23(19)24(27)30)10-12-21(28)18-7-3-4-13-25-18/h4-8,10-11,24H,2,9,12-16H2,1,3H3;3-5,7,10,14,23H,1,6,8-9,11-13H2,2H3;3-5,7-8,10-11,23H,1,6,9,12-15H2,2H3;3-10,23H,1,11-16H2,2H3;3-10,23H,1,11-16H2,2H3;3-8,12,20H,1,9-11,13H2,2H3;3-8,13,20H,1,9-12,14H2,2H3.
What are the key properties of 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one?
5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one has a molecular weight of 3028.25 g/mol, XLogP of 31.75, 40 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[2-(3-chlorophenyl)-2-oxoethyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(2-oxo-3-phenylmethoxypropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 160971575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).