3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one

C21H16N2O2 — CID 717898

IUPAC3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-9-11-15(12-10-14)20-22-19-8-3-2-7-18(19)21(25)23(20)16-5-4-6-17(24)13-16/h2-13,24H,1H3
InChIKeyKVZOXOQWBADCRN-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.07
Rot. Bonds2

About 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one

3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one (PubChem CID 717898) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
PubChem CID717898
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-9-11-15(12-10-14)20-22-19-8-3-2-7-18(19)21(25)23(20)16-5-4-6-17(24)13-16/h2-13,24H,1H3
InChIKeyKVZOXOQWBADCRN-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 829438
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 716780
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one (CID 717898) is 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one?
The InChIKey is KVZOXOQWBADCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-9-11-15(12-10-14)20-22-19-8-3-2-7-18(19)21(25)23(20)16-5-4-6-17(24)13-16/h2-13,24H,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one?
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 717898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).