3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one

C30H24N2O — CID 118735060

IUPAC3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
SMILESCc1ccc(Cn2c(-c3ccccc3/C=C/c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C30H24N2O/c1-22-15-17-24(18-16-22)21-32-29(31-28-14-8-7-13-27(28)30(32)33)26-12-6-5-11-25(26)20-19-23-9-3-2-4-10-23/h2-20H,21H2,1H3/b20-19+
InChIKeyNTYRUTKHXJPMRE-FMQUCBEESA-N
MW428.54 g/mol
LogP6.59
Rot. Bonds5

About 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one

3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one (PubChem CID 118735060) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
PubChem CID118735060
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
SMILESCc1ccc(Cn2c(-c3ccccc3/C=C/c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C30H24N2O/c1-22-15-17-24(18-16-22)21-32-29(31-28-14-8-7-13-27(28)30(32)33)26-12-6-5-11-25(26)20-19-23-9-3-2-4-10-23/h2-20H,21H2,1H3/b20-19+
InChIKeyNTYRUTKHXJPMRE-FMQUCBEESA-N
XLogP6.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one
CID 118735048
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245528
3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735050
3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735055
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 71833929
3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365745
3-[(4-methylphenyl)methyl]-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 7265161
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550
2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 23963016
2-[2-(4-methylphenoxy)ethylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 7227057
3-[(4-fluorophenyl)methyl]-2-(2-hexoxyphenyl)quinazolin-4-one
CID 46083535

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one (CID 118735060) is 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one is Cc1ccc(Cn2c(-c3ccccc3/C=C/c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
The InChIKey is NTYRUTKHXJPMRE-FMQUCBEESA-N. The full InChI is InChI=1S/C30H24N2O/c1-22-15-17-24(18-16-22)21-32-29(31-28-14-8-7-13-27(28)30(32)33)26-12-6-5-11-25(26)20-19-23-9-3-2-4-10-23/h2-20H,21H2,1H3/b20-19+.
What are the key properties of 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one has a molecular weight of 428.54 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one is sourced from PubChem (CID 118735060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).