3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one

C48H40N4O4 — CID 137106077

IUPAC3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one
SMILESCCc1cccc(-n2c(/C=C/c3cccc(C)c3O)nc3ccccc3c2=O)c1.Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c1O
InChIInChI=1S/C25H22N2O2.C23H18N2O2/c1-3-18-9-7-11-20(16-18)27-23(15-14-19-10-6-8-17(2)24(19)28)26-22-13-5-4-12-21(22)25(27)29;1-16-8-7-9-17(22(16)26)14-15-21-24-20-13-6-5-12-19(20)23(27)25(21)18-10-3-2-4-11-18/h4-16,28H,3H2,1-2H3;2-15,26H,1H3/b2*15-14+
InChIKeyRWNOTTPEZGCVRY-OTONINDTSA-N
MW736.87 g/mol
LogP9.70
Rot. Bonds7

About 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one

3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one (PubChem CID 137106077) has the molecular formula C48H40N4O4 and a molecular weight of 736.87 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one
PubChem CID137106077
Molecular FormulaC48H40N4O4
Molecular Weight736.87 g/mol
Exact Mass736.30
IUPAC Name3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one
SMILESCCc1cccc(-n2c(/C=C/c3cccc(C)c3O)nc3ccccc3c2=O)c1.Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c1O
InChIInChI=1S/C25H22N2O2.C23H18N2O2/c1-3-18-9-7-11-20(16-18)27-23(15-14-19-10-6-8-17(2)24(19)28)26-22-13-5-4-12-21(22)25(27)29;1-16-8-7-9-17(22(16)26)14-15-21-24-20-13-6-5-12-19(20)23(27)25(21)18-10-3-2-4-11-18/h4-16,28H,3H2,1-2H3;2-15,26H,1H3/b2*15-14+
InChIKeyRWNOTTPEZGCVRY-OTONINDTSA-N
XLogP9.70
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.87
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136648633
3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
CID 143457841
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
3-(3,5-dimethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136507453
3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 137186079
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 3090604

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one (CID 137106077) is 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one is CCc1cccc(-n2c(/C=C/c3cccc(C)c3O)nc3ccccc3c2=O)c1.Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c1O.
What is the InChIKey of 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one?
The InChIKey is RWNOTTPEZGCVRY-OTONINDTSA-N. The full InChI is InChI=1S/C25H22N2O2.C23H18N2O2/c1-3-18-9-7-11-20(16-18)27-23(15-14-19-10-6-8-17(2)24(19)28)26-22-13-5-4-12-21(22)25(27)29;1-16-8-7-9-17(22(16)26)14-15-21-24-20-13-6-5-12-19(20)23(27)25(21)18-10-3-2-4-11-18/h4-16,28H,3H2,1-2H3;2-15,26H,1H3/b2*15-14+.
What are the key properties of 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one?
3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one has a molecular weight of 736.87 g/mol, XLogP of 9.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 137106077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).