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

C21H16N2O3 — CID 141088520

IUPAC2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one
SMILESCc1ccc(On2c(-c3ccccc3O)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H16N2O3/c1-14-10-12-15(13-11-14)26-23-20(17-7-3-5-9-19(17)24)22-18-8-4-2-6-16(18)21(23)25/h2-13,24H,1H3
InChIKeyQISNBUFJKXSKTM-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.92
Rot. Bonds3

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

2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one (PubChem CID 141088520) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one
PubChem CID141088520
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one
SMILESCc1ccc(On2c(-c3ccccc3O)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H16N2O3/c1-14-10-12-15(13-11-14)26-23-20(17-7-3-5-9-19(17)24)22-18-8-4-2-6-16(18)21(23)25/h2-13,24H,1H3
InChIKeyQISNBUFJKXSKTM-UHFFFAOYSA-N
XLogP3.92
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-2-[2-(2-phenoxyacetyl)phenyl]quinazolin-4-one
CID 4039036
3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
CID 135430569
[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate
CID 118737735
[2-(4-methoxyphenyl)-4-oxoquinazolin-3-yl] ethanesulfonate
CID 18737613
[4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate
CID 118509700
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 15721861
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 829438

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one (CID 141088520) is 2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one is Cc1ccc(On2c(-c3ccccc3O)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one?
The InChIKey is QISNBUFJKXSKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-14-10-12-15(13-11-14)26-23-20(17-7-3-5-9-19(17)24)22-18-8-4-2-6-16(18)21(23)25/h2-13,24H,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one?
2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one has a molecular weight of 344.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one is sourced from PubChem (CID 141088520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).