7-chloro-4-methoxy-1-phenylquinazolin-2-one

C15H11ClN2O2 — CID 150132186

IUPAC7-chloro-4-methoxy-1-phenylquinazolin-2-one
SMILESCOc1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C15H11ClN2O2/c1-20-14-12-8-7-10(16)9-13(12)18(15(19)17-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyFBMLZTKVTZGARL-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.05
Rot. Bonds2

About 7-chloro-4-methoxy-1-phenylquinazolin-2-one

7-chloro-4-methoxy-1-phenylquinazolin-2-one (PubChem CID 150132186) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 7-chloro-4-methoxy-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-methoxy-1-phenylquinazolin-2-one
PubChem CID150132186
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name7-chloro-4-methoxy-1-phenylquinazolin-2-one
SMILESCOc1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C15H11ClN2O2/c1-20-14-12-8-7-10(16)9-13(12)18(15(19)17-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyFBMLZTKVTZGARL-UHFFFAOYSA-N
XLogP3.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-1-phenylquinazolin-2-one?
The IUPAC name of 7-chloro-4-methoxy-1-phenylquinazolin-2-one (CID 150132186) is 7-chloro-4-methoxy-1-phenylquinazolin-2-one.
What is the SMILES notation for 7-chloro-4-methoxy-1-phenylquinazolin-2-one?
The canonical SMILES for 7-chloro-4-methoxy-1-phenylquinazolin-2-one is COc1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-methoxy-1-phenylquinazolin-2-one?
The InChIKey is FBMLZTKVTZGARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-14-12-8-7-10(16)9-13(12)18(15(19)17-14)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 7-chloro-4-methoxy-1-phenylquinazolin-2-one?
7-chloro-4-methoxy-1-phenylquinazolin-2-one has a molecular weight of 286.72 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-1-phenylquinazolin-2-one is sourced from PubChem (CID 150132186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).