3-[(4-chlorophenyl)methyl]quinazolin-4-one

C15H11ClN2O — CID 677888

IUPAC3-[(4-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c16-12-7-5-11(6-8-12)9-18-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,10H,9H2
InChIKeyAKRYEYOAOUPPMF-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.10
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]quinazolin-4-one

3-[(4-chlorophenyl)methyl]quinazolin-4-one (PubChem CID 677888) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]quinazolin-4-one
PubChem CID677888
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-[(4-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c16-12-7-5-11(6-8-12)9-18-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,10H,9H2
InChIKeyAKRYEYOAOUPPMF-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]quinazolin-4-one (CID 677888) is 3-[(4-chlorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]quinazolin-4-one is O=c1c2ccccc2ncn1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]quinazolin-4-one?
The InChIKey is AKRYEYOAOUPPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-7-5-11(6-8-12)9-18-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,10H,9H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]quinazolin-4-one?
3-[(4-chlorophenyl)methyl]quinazolin-4-one has a molecular weight of 270.72 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 677888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).