3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one

C21H15ClN2O2 — CID 3774397

IUPAC3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O2/c22-17-12-10-15(11-13-17)14-26-24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)21(24)25/h1-13H,14H2
InChIKeyYUIBPJAORLJEIC-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.35
Rot. Bonds4

About 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one

3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one (PubChem CID 3774397) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one
PubChem CID3774397
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O2/c22-17-12-10-15(11-13-17)14-26-24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)21(24)25/h1-13H,14H2
InChIKeyYUIBPJAORLJEIC-UHFFFAOYSA-N
XLogP4.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate
CID 23937732
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
CID 3756820
3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
3-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 46083232
3-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408846
3-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406150
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
2-(2-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole
CID 3779300
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one (CID 3774397) is 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1OCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one?
The InChIKey is YUIBPJAORLJEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-17-12-10-15(11-13-17)14-26-24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)21(24)25/h1-13H,14H2.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one?
3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one has a molecular weight of 362.82 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one is sourced from PubChem (CID 3774397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).