8-chloro-4-fluoro-6-propan-2-ylquinoline

C12H11ClFN — CID 137438690

IUPAC8-chloro-4-fluoro-6-propan-2-ylquinoline
SMILESCC(C)c1cc(Cl)c2nccc(F)c2c1
InChIInChI=1S/C12H11ClFN/c1-7(2)8-5-9-11(14)3-4-15-12(9)10(13)6-8/h3-7H,1-2H3
InChIKeyVENAWDXSEXCYNZ-UHFFFAOYSA-N
MW223.68 g/mol
LogP4.15
Rot. Bonds1

About 8-chloro-4-fluoro-6-propan-2-ylquinoline

8-chloro-4-fluoro-6-propan-2-ylquinoline (PubChem CID 137438690) has the molecular formula C12H11ClFN and a molecular weight of 223.68 g/mol. Its IUPAC name is 8-chloro-4-fluoro-6-propan-2-ylquinoline.

Molecular Properties

Compound Name8-chloro-4-fluoro-6-propan-2-ylquinoline
PubChem CID137438690
Molecular FormulaC12H11ClFN
Molecular Weight223.68 g/mol
Exact Mass223.06
IUPAC Name8-chloro-4-fluoro-6-propan-2-ylquinoline
SMILESCC(C)c1cc(Cl)c2nccc(F)c2c1
InChIInChI=1S/C12H11ClFN/c1-7(2)8-5-9-11(14)3-4-15-12(9)10(13)6-8/h3-7H,1-2H3
InChIKeyVENAWDXSEXCYNZ-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-chloro-4-fluoro-6-propan-2-ylquinoline 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-fluoro-6-iodo-8-propan-2-ylquinoline
CID 58152031
8-chloro-6-fluoro-N-methylquinolin-4-amine
CID 62192590
1,8-dichloro-6-propan-2-ylisoquinoline
CID 165177949
4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline
CID 71048988
4-chloro-6-propan-2-yl-1,3-benzoxazole
CID 137430290
4-chloro-6-propan-2-yl-1H-benzimidazole
CID 137430140
8-chloro-5-fluoroquinoline
CID 53435993
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
6,8-dichloro-4-methylquinoline;ethane
CID 177201451
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
6,8-dichloro-4-methylquinoline;ethane
CID 177201180

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-fluoro-6-propan-2-ylquinoline?
The IUPAC name of 8-chloro-4-fluoro-6-propan-2-ylquinoline (CID 137438690) is 8-chloro-4-fluoro-6-propan-2-ylquinoline.
What is the SMILES notation for 8-chloro-4-fluoro-6-propan-2-ylquinoline?
The canonical SMILES for 8-chloro-4-fluoro-6-propan-2-ylquinoline is CC(C)c1cc(Cl)c2nccc(F)c2c1.
What is the InChIKey of 8-chloro-4-fluoro-6-propan-2-ylquinoline?
The InChIKey is VENAWDXSEXCYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN/c1-7(2)8-5-9-11(14)3-4-15-12(9)10(13)6-8/h3-7H,1-2H3.
What are the key properties of 8-chloro-4-fluoro-6-propan-2-ylquinoline?
8-chloro-4-fluoro-6-propan-2-ylquinoline has a molecular weight of 223.68 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-fluoro-6-propan-2-ylquinoline is sourced from PubChem (CID 137438690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).