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

C23H20N2O — CID 17036011

IUPAC2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
SMILESCc1ccc(Cn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H20N2O/c1-16-7-11-18(12-8-16)15-25-22(19-13-9-17(2)10-14-19)24-21-6-4-3-5-20(21)23(25)26/h3-14H,15H2,1-2H3
InChIKeyBDLRBUZETSLHBD-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.73
Rot. Bonds3

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

2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one (PubChem CID 17036011) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
PubChem CID17036011
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
SMILESCc1ccc(Cn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H20N2O/c1-16-7-11-18(12-8-16)15-25-22(19-13-9-17(2)10-14-19)24-21-6-4-3-5-20(21)23(25)26/h3-14H,15H2,1-2H3
InChIKeyBDLRBUZETSLHBD-UHFFFAOYSA-N
XLogP4.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 23963016
3-benzyl-8-methyl-2-(4-methylphenyl)quinazolin-4-one
CID 175460267
3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365745
3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735060
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
3-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 46083232
3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
CID 22484643
3-[(4-methylphenyl)methyl]-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 7265161
3-[(4-tert-butylphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 15996903
3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
CID 134850585
1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 15073525
3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245528

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one (CID 17036011) is 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one is Cc1ccc(Cn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one?
The InChIKey is BDLRBUZETSLHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-16-7-11-18(12-8-16)15-25-22(19-13-9-17(2)10-14-19)24-21-6-4-3-5-20(21)23(25)26/h3-14H,15H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one?
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one has a molecular weight of 340.43 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 17036011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).