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

C21H16N2O2 — CID 717894

IUPAC3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-8-15(9-7-14)20-22-19-5-3-2-4-18(19)21(25)23(20)16-10-12-17(24)13-11-16/h2-13,24H,1H3
InChIKeyIBDIRAVTSVMOIE-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.07
Rot. Bonds2

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

3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one (PubChem CID 717894) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
PubChem CID717894
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-8-15(9-7-14)20-22-19-5-3-2-4-18(19)21(25)23(20)16-10-12-17(24)13-11-16/h2-13,24H,1H3
InChIKeyIBDIRAVTSVMOIE-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one (CID 717894) is 3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one?
The InChIKey is IBDIRAVTSVMOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-6-8-15(9-7-14)20-22-19-5-3-2-4-18(19)21(25)23(20)16-10-12-17(24)13-11-16/h2-13,24H,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one?
3-(4-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-(4-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 717894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).