2-chloro-4-methylquinoline-5,8-dione

C10H6ClNO2 — CID 5279447

IUPAC2-chloro-4-methylquinoline-5,8-dione
SMILESCc1cc(Cl)nc2c1C(=O)C=CC2=O
InChIInChI=1S/C10H6ClNO2/c1-5-4-8(11)12-10-7(14)3-2-6(13)9(5)10/h2-4H,1H3
InChIKeyVKVAWGYZXSHGNH-UHFFFAOYSA-N
MW207.62 g/mol
LogP1.98
Rot. Bonds

About 2-chloro-4-methylquinoline-5,8-dione

2-chloro-4-methylquinoline-5,8-dione (PubChem CID 5279447) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 2-chloro-4-methylquinoline-5,8-dione.

Molecular Properties

Compound Name2-chloro-4-methylquinoline-5,8-dione
PubChem CID5279447
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name2-chloro-4-methylquinoline-5,8-dione
SMILESCc1cc(Cl)nc2c1C(=O)C=CC2=O
InChIInChI=1S/C10H6ClNO2/c1-5-4-8(11)12-10-7(14)3-2-6(13)9(5)10/h2-4H,1H3
InChIKeyVKVAWGYZXSHGNH-UHFFFAOYSA-N
XLogP1.98
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-methylquinoline-5,8-dione with MolForge

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

Launch Full Analysis

Related Compounds

6,7-Dichloroquinoline-5,8-dione
CID 96582
1-(2,4,6-Trimethylpyridin-3-yl)ethan-1-one
CID 268124
1-(6-Acetyl-4-chloropyridin-2-yl)ethan-1-one
CID 10821768
Mls003171321
CID 341543
8-Quinolinone,6,7,8-tetrahydro-7-(phenylmethylene)-
CID 5470385
6-Amino-7-chloro-5,8-dioxoquinoline
CID 96583
7-Amino-2-methylquinoline-5,8-dione
CID 10976237
2-Chloro-5,6,7,8-tetrahydroquinolin-8-one
CID 14680112
5,8-Quinolinedione, 6,7-dichloro-2-methyl-
CID 175811
5,8-Quinolinedione, 2-methyl-
CID 388305
5,8-Dioxoquinoline-2-carbaldehyde
CID 9794096
7-Chloro-6-methylamino-5,8-quinolinequinone
CID 46887874

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylquinoline-5,8-dione?
The IUPAC name of 2-chloro-4-methylquinoline-5,8-dione (CID 5279447) is 2-chloro-4-methylquinoline-5,8-dione.
What is the SMILES notation for 2-chloro-4-methylquinoline-5,8-dione?
The canonical SMILES for 2-chloro-4-methylquinoline-5,8-dione is Cc1cc(Cl)nc2c1C(=O)C=CC2=O.
What is the InChIKey of 2-chloro-4-methylquinoline-5,8-dione?
The InChIKey is VKVAWGYZXSHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c1-5-4-8(11)12-10-7(14)3-2-6(13)9(5)10/h2-4H,1H3.
What are the key properties of 2-chloro-4-methylquinoline-5,8-dione?
2-chloro-4-methylquinoline-5,8-dione has a molecular weight of 207.62 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylquinoline-5,8-dione is sourced from PubChem (CID 5279447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).