4-chloro-5-fluoro-3,8-dimethylquinoline

C11H9ClFN — CID 171373227

IUPAC4-chloro-5-fluoro-3,8-dimethylquinoline
SMILESCc1cnc2c(C)ccc(F)c2c1Cl
InChIInChI=1S/C11H9ClFN/c1-6-3-4-8(13)9-10(12)7(2)5-14-11(6)9/h3-5H,1-2H3
InChIKeyZBCPVCIGEFDVHA-UHFFFAOYSA-N
MW209.65 g/mol
LogP3.64
Rot. Bonds

About 4-chloro-5-fluoro-3,8-dimethylquinoline

4-chloro-5-fluoro-3,8-dimethylquinoline (PubChem CID 171373227) has the molecular formula C11H9ClFN and a molecular weight of 209.65 g/mol. Its IUPAC name is 4-chloro-5-fluoro-3,8-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-3,8-dimethylquinoline
PubChem CID171373227
Molecular FormulaC11H9ClFN
Molecular Weight209.65 g/mol
Exact Mass209.04
IUPAC Name4-chloro-5-fluoro-3,8-dimethylquinoline
SMILESCc1cnc2c(C)ccc(F)c2c1Cl
InChIInChI=1S/C11H9ClFN/c1-6-3-4-8(13)9-10(12)7(2)5-14-11(6)9/h3-5H,1-2H3
InChIKeyZBCPVCIGEFDVHA-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-5-fluoro-3,8-dimethylquinoline 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

4-chloro-8-fluoro-5-iodo-3-methylquinoline
CID 171373210
4,8-dichloro-5,6-difluoro-3-methylquinoline
CID 171373412
2-chloro-5-fluoro-4,8-dimethylquinazoline
CID 130051303
3,8-dibromo-4-chloro-5-fluoroquinoline
CID 107627843
4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline
CID 59631265
5-bromo-3,4-dichloro-8-methylquinoline
CID 114759791
4-chloro-8-fluoro-2,3,5-trimethylquinoline
CID 60996951
4,5,7,8-tetrachloro-3-methylquinoline
CID 171373423
4-chloro-6,8-difluoro-3,7-dimethylquinoline
CID 171373268
2-chloro-5-fluoro-8-methylquinazolin-4-amine
CID 130051304
4-chloro-3,7-dimethylquinolin-8-amine
CID 125425329
8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline
CID 171373219

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-3,8-dimethylquinoline?
The IUPAC name of 4-chloro-5-fluoro-3,8-dimethylquinoline (CID 171373227) is 4-chloro-5-fluoro-3,8-dimethylquinoline.
What is the SMILES notation for 4-chloro-5-fluoro-3,8-dimethylquinoline?
The canonical SMILES for 4-chloro-5-fluoro-3,8-dimethylquinoline is Cc1cnc2c(C)ccc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-3,8-dimethylquinoline?
The InChIKey is ZBCPVCIGEFDVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN/c1-6-3-4-8(13)9-10(12)7(2)5-14-11(6)9/h3-5H,1-2H3.
What are the key properties of 4-chloro-5-fluoro-3,8-dimethylquinoline?
4-chloro-5-fluoro-3,8-dimethylquinoline has a molecular weight of 209.65 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-3,8-dimethylquinoline is sourced from PubChem (CID 171373227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).