1-(3-chlorophenyl)quinazolin-4-one

C14H9ClN2O — CID 901934

IUPAC1-(3-chlorophenyl)quinazolin-4-one
SMILESO=c1ncn(-c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C14H9ClN2O/c15-10-4-3-5-11(8-10)17-9-16-14(18)12-6-1-2-7-13(12)17/h1-9H
InChIKeyWQQYSBPYYSYKGH-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.04
Rot. Bonds1

About 1-(3-chlorophenyl)quinazolin-4-one

1-(3-chlorophenyl)quinazolin-4-one (PubChem CID 901934) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)quinazolin-4-one
PubChem CID901934
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name1-(3-chlorophenyl)quinazolin-4-one
SMILESO=c1ncn(-c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C14H9ClN2O/c15-10-4-3-5-11(8-10)17-9-16-14(18)12-6-1-2-7-13(12)17/h1-9H
InChIKeyWQQYSBPYYSYKGH-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)quinazolin-4-one?
The IUPAC name of 1-(3-chlorophenyl)quinazolin-4-one (CID 901934) is 1-(3-chlorophenyl)quinazolin-4-one.
What is the SMILES notation for 1-(3-chlorophenyl)quinazolin-4-one?
The canonical SMILES for 1-(3-chlorophenyl)quinazolin-4-one is O=c1ncn(-c2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 1-(3-chlorophenyl)quinazolin-4-one?
The InChIKey is WQQYSBPYYSYKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-10-4-3-5-11(8-10)17-9-16-14(18)12-6-1-2-7-13(12)17/h1-9H.
What are the key properties of 1-(3-chlorophenyl)quinazolin-4-one?
1-(3-chlorophenyl)quinazolin-4-one has a molecular weight of 256.69 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)quinazolin-4-one is sourced from PubChem (CID 901934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).