3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one

C134H107F2N22O11+ — CID 157445683

About 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one

3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one (PubChem CID 157445683) has the molecular formula C134H107F2N22O11+ and a molecular weight of 2239.47 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one
• PubChem CID: 157445683
• Molecular Formula: C134H107F2N22O11+
• Molecular Weight: 2239.47 g/mol
• Exact Mass: 2237.85
• IUPAC Name: 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one
• SMILES: COc1ccnc(/C=C/c2nc3ccccc3c(=O)n2-c2c(C)cccc2C)c1O.COc1nccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c1O.Cc1cccc(C)c1-n1c(/C=C/c2cccc3c[n+](C)[nH]c23)nc2ccccc2c1=O.Cc1cccc(C)c1-n1c(/C=C/c2cccc3cn[nH]c23)nc2ccccc2c1=O.Cc1ccccc1-n1c(-c2ccoc2)nc2ccccc2c1=O.Cc1ccccc1-n1c(/C=C/c2nn[nH]n2)nc2ccccc2c1=O
• InChI: InChI=1S/C26H22N4O.C25H20N4O.C24H21N3O3.C22H15F2N3O3.C19H14N2O2.C18H14N6O/c1-17-8-6-9-18(2)25(17)30-23(27-22-13-5-4-12-21(22)26(30)31)15-14-19-10-7-11-20-16-29(3)28-24(19)20;1-16-7-5-8-17(2)24(16)29-22(27-21-12-4-3-11-20(21)25(29)30)14-13-18-9-6-10-19-15-26-28-23(18)19;1-15-7-6-8-16(2)22(15)27-21(26-18-10-5-4-9-17(18)24(27)29)12-11-19-23(28)20(30-3)13-14-25-19;1-30-21-20(28)13(11-12-25-21)9-10-18-26-17-8-3-2-5-14(17)22(29)27(18)19-15(23)6-4-7-16(19)24;1-13-6-2-5-9-17(13)21-18(14-10-11-23-12-14)20-16-8-4-3-7-15(16)19(21)22;1-12-6-2-5-9-15(12)24-17(11-10-16-20-22-23-21-16)19-14-8-4-3-7-13(14)18(24)25/h4-16H,1-3H3;3-15H,1-2H3,(H,26,28);4-14,28H,1-3H3;2-12,28H,1H3;2-12H,1H3;2-11H,1H3,(H,20,21,22,23)/p+1/b15-14+;14-13+;12-11+;10-9+;;11-10+
• InChIKey: TXGZEABWIZRIRL-RNYKSEHKSA-O
• XLogP: 24.09
• TPSA: 409.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2239.47
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one?

The IUPAC name of 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one (CID 157445683) is 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one.

What is the SMILES notation for 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one?

The canonical SMILES for 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one is COc1ccnc(/C=C/c2nc3ccccc3c(=O)n2-c2c(C)cccc2C)c1O.COc1nccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c1O.Cc1cccc(C)c1-n1c(/C=C/c2cccc3c[n+](C)[nH]c23)nc2ccccc2c1=O.Cc1cccc(C)c1-n1c(/C=C/c2cccc3cn[nH]c23)nc2ccccc2c1=O.Cc1ccccc1-n1c(-c2ccoc2)nc2ccccc2c1=O.Cc1ccccc1-n1c(/C=C/c2nn[nH]n2)nc2ccccc2c1=O.

What is the InChIKey of 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one?

The InChIKey is TXGZEABWIZRIRL-RNYKSEHKSA-O. The full InChI is InChI=1S/C26H22N4O.C25H20N4O.C24H21N3O3.C22H15F2N3O3.C19H14N2O2.C18H14N6O/c1-17-8-6-9-18(2)25(17)30-23(27-22-13-5-4-12-21(22)26(30)31)15-14-19-10-7-11-20-16-29(3)28-24(19)20;1-16-7-5-8-17(2)24(16)29-22(27-21-12-4-3-11-20(21)25(29)30)14-13-18-9-6-10-19-15-26-28-23(18)19;1-15-7-6-8-16(2)22(15)27-21(26-18-10-5-4-9-17(18)24(27)29)12-11-19-23(28)20(30-3)13-14-25-19;1-30-21-20(28)13(11-12-25-21)9-10-18-26-17-8-3-2-5-14(17)22(29)27(18)19-15(23)6-4-7-16(19)24;1-13-6-2-5-9-17(13)21-18(14-10-11-23-12-14)20-16-8-4-3-7-15(16)19(21)22;1-12-6-2-5-9-15(12)24-17(11-10-16-20-22-23-21-16)19-14-8-4-3-7-13(14)18(24)25/h4-16H,1-3H3;3-15H,1-2H3,(H,26,28);4-14,28H,1-3H3;2-12,28H,1H3;2-12H,1H3;2-11H,1H3,(H,20,21,22,23)/p+1/b15-14+;14-13+;12-11+;10-9+;;11-10+.

What are the key properties of 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one?

3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one has a molecular weight of 2239.47 g/mol, XLogP of 24.09, 19 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-difluorophenyl)-2-[(E)-2-(3-hydroxy-2-methoxy-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-4-methoxy-2-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(1H-indazol-7-yl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(2-methyl-1H-indazol-2-ium-7-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one;3-(2-methylphenyl)-2-[(E)-2-(2H-tetrazol-5-yl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 157445683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).