6-chloro-7-fluoro-4aH-quinolin-4-one

C9H5ClFNO — CID 71303946

IUPAC6-chloro-7-fluoro-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=C(F)C(Cl)=CC12
InChIInChI=1S/C9H5ClFNO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h1-5H
InChIKeyLQPGXNOLDQZIHR-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.13
Rot. Bonds

About 6-chloro-7-fluoro-4aH-quinolin-4-one

6-chloro-7-fluoro-4aH-quinolin-4-one (PubChem CID 71303946) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4aH-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-7-fluoro-4aH-quinolin-4-one
PubChem CID71303946
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name6-chloro-7-fluoro-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=C(F)C(Cl)=CC12
InChIInChI=1S/C9H5ClFNO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h1-5H
InChIKeyLQPGXNOLDQZIHR-UHFFFAOYSA-N
XLogP2.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-7-fluoro-4aH-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4aH-quinolin-4-one?
The IUPAC name of 6-chloro-7-fluoro-4aH-quinolin-4-one (CID 71303946) is 6-chloro-7-fluoro-4aH-quinolin-4-one.
What is the SMILES notation for 6-chloro-7-fluoro-4aH-quinolin-4-one?
The canonical SMILES for 6-chloro-7-fluoro-4aH-quinolin-4-one is O=C1C=CN=C2C=C(F)C(Cl)=CC12.
What is the InChIKey of 6-chloro-7-fluoro-4aH-quinolin-4-one?
The InChIKey is LQPGXNOLDQZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h1-5H.
What are the key properties of 6-chloro-7-fluoro-4aH-quinolin-4-one?
6-chloro-7-fluoro-4aH-quinolin-4-one has a molecular weight of 197.60 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-4aH-quinolin-4-one is sourced from PubChem (CID 71303946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).