3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one

C20H13ClN2O2 — CID 86039228

IUPAC3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one
SMILESO=c1c2ccccc2nc(Oc2ccccc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2O2/c21-14-10-12-15(13-11-14)23-19(24)17-8-4-5-9-18(17)22-20(23)25-16-6-2-1-3-7-16/h1-13H
InChIKeyWTNGABKUPBWCOC-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.83
Rot. Bonds3

About 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one

3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one (PubChem CID 86039228) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one
PubChem CID86039228
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one
SMILESO=c1c2ccccc2nc(Oc2ccccc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2O2/c21-14-10-12-15(13-11-14)23-19(24)17-8-4-5-9-18(17)22-20(23)25-16-6-2-1-3-7-16/h1-13H
InChIKeyWTNGABKUPBWCOC-UHFFFAOYSA-N
XLogP4.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-2-phenoxyquinazolin-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-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
3-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)quinazolin-4-one
CID 11120872
3-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 2978952
2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 6435974
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(4-chlorophenyl)-2-prop-2-enylsulfanylquinazolin-4-one
CID 8007787
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
2-[2-(4-chlorophenoxy)ethylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 4566776
2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 22216138

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one (CID 86039228) is 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one is O=c1c2ccccc2nc(Oc2ccccc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one?
The InChIKey is WTNGABKUPBWCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-14-10-12-15(13-11-14)23-19(24)17-8-4-5-9-18(17)22-20(23)25-16-6-2-1-3-7-16/h1-13H.
What are the key properties of 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one?
3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one has a molecular weight of 348.79 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one is sourced from PubChem (CID 86039228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).