6-chloro-1-phenylquinazolin-2-one

C14H9ClN2O — CID 57122038

IUPAC6-chloro-1-phenylquinazolin-2-one
SMILESO=c1ncc2cc(Cl)ccc2n1-c1ccccc1
InChIInChI=1S/C14H9ClN2O/c15-11-6-7-13-10(8-11)9-16-14(18)17(13)12-4-2-1-3-5-12/h1-9H
InChIKeyUWBMJRNZYZVMRI-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.04
Rot. Bonds1

About 6-chloro-1-phenylquinazolin-2-one

6-chloro-1-phenylquinazolin-2-one (PubChem CID 57122038) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name6-chloro-1-phenylquinazolin-2-one
PubChem CID57122038
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name6-chloro-1-phenylquinazolin-2-one
SMILESO=c1ncc2cc(Cl)ccc2n1-c1ccccc1
InChIInChI=1S/C14H9ClN2O/c15-11-6-7-13-10(8-11)9-16-14(18)17(13)12-4-2-1-3-5-12/h1-9H
InChIKeyUWBMJRNZYZVMRI-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 6-chloro-1-phenylquinazolin-2-one?
The IUPAC name of 6-chloro-1-phenylquinazolin-2-one (CID 57122038) is 6-chloro-1-phenylquinazolin-2-one.
What is the SMILES notation for 6-chloro-1-phenylquinazolin-2-one?
The canonical SMILES for 6-chloro-1-phenylquinazolin-2-one is O=c1ncc2cc(Cl)ccc2n1-c1ccccc1.
What is the InChIKey of 6-chloro-1-phenylquinazolin-2-one?
The InChIKey is UWBMJRNZYZVMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-11-6-7-13-10(8-11)9-16-14(18)17(13)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 6-chloro-1-phenylquinazolin-2-one?
6-chloro-1-phenylquinazolin-2-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 6-chloro-1-phenylquinazolin-2-one is sourced from PubChem (CID 57122038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).