7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione

C131H112ClFN10O18 — CID 163854866

About 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione

7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione (PubChem CID 163854866) has the molecular formula C131H112ClFN10O18 and a molecular weight of 2168.84 g/mol. Its IUPAC name is 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione.

Molecular Properties

• Compound Name: 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione
• PubChem CID: 163854866
• Molecular Formula: C131H112ClFN10O18
• Molecular Weight: 2168.84 g/mol
• Exact Mass: 2166.78
• IUPAC Name: 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione
• SMILES: CCC(=O)/C=C/c1ccc(Cn2c(=O)n(-c3ccc(O)cc3)c(=O)c3ccccc32)cc1.CCC(=O)/C=C/c1ccc(Cn2c(=O)n(-c3ccc(OC)cc3)c(=O)c3ccccc32)cc1.CCC(=O)/C=C/c1ccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3ccccc32)cc1.CCC(=O)/C=C/c1ccc(Cn2c(=O)n(CCc3ccc(O)cc3)c(=O)c3ccc(Cl)cc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3ccccc32)cc1
• InChI: InChI=1S/C28H25ClN2O4.C27H24N2O4.C26H22N2O4.C26H22N2O3.C24H19FN2O3/c1-2-23(32)11-7-19-3-5-21(6-4-19)18-31-26-17-22(29)10-14-25(26)27(34)30(28(31)35)16-15-20-8-12-24(33)13-9-20;1-3-22(30)15-12-19-8-10-20(11-9-19)18-28-25-7-5-4-6-24(25)26(31)29(27(28)32)21-13-16-23(33-2)17-14-21;1-2-21(29)14-11-18-7-9-19(10-8-18)17-27-24-6-4-3-5-23(24)25(31)28(26(27)32)20-12-15-22(30)16-13-20;1-2-22(29)17-16-19-12-14-20(15-13-19)18-27-24-11-7-6-10-23(24)25(30)28(26(27)31)21-8-4-3-5-9-21;1-2-22(28)17-13-11-16(12-14-17)15-26-20-9-5-3-7-18(20)23(29)27(24(26)30)21-10-6-4-8-19(21)25/h3-14,17,33H,2,15-16,18H2,1H3;4-17H,3,18H2,1-2H3;3-16,30H,2,17H2,1H3;3-17H,2,18H2,1H3;3-14H,2,15H2,1H3/b11-7+;15-12+;14-11+;17-16+
• InChIKey: OXLRJQOOILBPCW-AOOGGYCRSA-N
• XLogP: 21.03
• TPSA: 355.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2168.84
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione?

The IUPAC name of 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione (CID 163854866) is 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione.

What is the SMILES notation for 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione?

The canonical SMILES for 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione is CCC(=O)/C=C/c1ccc(Cn2c(=O)n(-c3ccc(O)cc3)c(=O)c3ccccc32)cc1.CCC(=O)/C=C/c1ccc(Cn2c(=O)n(-c3ccc(OC)cc3)c(=O)c3ccccc32)cc1.CCC(=O)/C=C/c1ccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3ccccc32)cc1.CCC(=O)/C=C/c1ccc(Cn2c(=O)n(CCc3ccc(O)cc3)c(=O)c3ccc(Cl)cc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3ccccc32)cc1.

What is the InChIKey of 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione?

The InChIKey is OXLRJQOOILBPCW-AOOGGYCRSA-N. The full InChI is InChI=1S/C28H25ClN2O4.C27H24N2O4.C26H22N2O4.C26H22N2O3.C24H19FN2O3/c1-2-23(32)11-7-19-3-5-21(6-4-19)18-31-26-17-22(29)10-14-25(26)27(34)30(28(31)35)16-15-20-8-12-24(33)13-9-20;1-3-22(30)15-12-19-8-10-20(11-9-19)18-28-25-7-5-4-6-24(25)26(31)29(27(28)32)21-13-16-23(33-2)17-14-21;1-2-21(29)14-11-18-7-9-19(10-8-18)17-27-24-6-4-3-5-23(24)25(31)28(26(27)32)20-12-15-22(30)16-13-20;1-2-22(29)17-16-19-12-14-20(15-13-19)18-27-24-11-7-6-10-23(24)25(30)28(26(27)31)21-8-4-3-5-9-21;1-2-22(28)17-13-11-16(12-14-17)15-26-20-9-5-3-7-18(20)23(29)27(24(26)30)21-10-6-4-8-19(21)25/h3-14,17,33H,2,15-16,18H2,1H3;4-17H,3,18H2,1-2H3;3-16,30H,2,17H2,1H3;3-17H,2,18H2,1H3;3-14H,2,15H2,1H3/b11-7+;15-12+;14-11+;17-16+;.

What are the key properties of 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione?

7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione has a molecular weight of 2168.84 g/mol, XLogP of 21.03, 32 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione is sourced from PubChem (CID 163854866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).