2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one

C21H16N2O3 — CID 168550890

IUPAC2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)c(OCc3ccccc3)c2)nc2ccccc12
InChIInChI=1S/C21H16N2O3/c24-18-11-10-15(12-19(18)26-13-14-6-2-1-3-7-14)20-22-17-9-5-4-8-16(17)21(25)23-20/h1-12,24H,13H2,(H,22,23,25)
InChIKeyIHBUWLQUELMPAY-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one

2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168550890) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
PubChem CID168550890
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)c(OCc3ccccc3)c2)nc2ccccc12
InChIInChI=1S/C21H16N2O3/c24-18-11-10-15(12-19(18)26-13-14-6-2-1-3-7-14)20-22-17-9-5-4-8-16(17)21(25)23-20/h1-12,24H,13H2,(H,22,23,25)
InChIKeyIHBUWLQUELMPAY-UHFFFAOYSA-N
XLogP3.87
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-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

2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide
CID 168552834
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-[4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551161
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551146
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one (CID 168550890) is 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(O)c(OCc3ccccc3)c2)nc2ccccc12.
What is the InChIKey of 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is IHBUWLQUELMPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-18-11-10-15(12-19(18)26-13-14-6-2-1-3-7-14)20-22-17-9-5-4-8-16(17)21(25)23-20/h1-12,24H,13H2,(H,22,23,25).
What are the key properties of 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one?
2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 344.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168550890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).