1-(3-chloro-2-methylphenyl)quinazolin-4-one

C15H11ClN2O — CID 901936

IUPAC1-(3-chloro-2-methylphenyl)quinazolin-4-one
SMILESCc1c(Cl)cccc1-n1cnc(=O)c2ccccc21
InChIInChI=1S/C15H11ClN2O/c1-10-12(16)6-4-8-13(10)18-9-17-15(19)11-5-2-3-7-14(11)18/h2-9H,1H3
InChIKeyKZTADFVKLFDJKR-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.35
Rot. Bonds1

About 1-(3-chloro-2-methylphenyl)quinazolin-4-one

1-(3-chloro-2-methylphenyl)quinazolin-4-one (PubChem CID 901936) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)quinazolin-4-one
PubChem CID901936
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name1-(3-chloro-2-methylphenyl)quinazolin-4-one
SMILESCc1c(Cl)cccc1-n1cnc(=O)c2ccccc21
InChIInChI=1S/C15H11ClN2O/c1-10-12(16)6-4-8-13(10)18-9-17-15(19)11-5-2-3-7-14(11)18/h2-9H,1H3
InChIKeyKZTADFVKLFDJKR-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)quinazolin-4-one?
The IUPAC name of 1-(3-chloro-2-methylphenyl)quinazolin-4-one (CID 901936) is 1-(3-chloro-2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)quinazolin-4-one is Cc1c(Cl)cccc1-n1cnc(=O)c2ccccc21.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)quinazolin-4-one?
The InChIKey is KZTADFVKLFDJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10-12(16)6-4-8-13(10)18-9-17-15(19)11-5-2-3-7-14(11)18/h2-9H,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)quinazolin-4-one?
1-(3-chloro-2-methylphenyl)quinazolin-4-one has a molecular weight of 270.72 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 901936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).