4-chloro-2,8-dimethylquinoline

C11H10ClN — CID 809556

IUPAC4-chloro-2,8-dimethylquinoline
SMILESCc1cc(Cl)c2cccc(C)c2n1
InChIInChI=1S/C11H10ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3
InChIKeyILOAZUIOTZZIBK-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.51
Rot. Bonds

About 4-chloro-2,8-dimethylquinoline

4-chloro-2,8-dimethylquinoline (PubChem CID 809556) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 4-chloro-2,8-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-2,8-dimethylquinoline
PubChem CID809556
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name4-chloro-2,8-dimethylquinoline
SMILESCc1cc(Cl)c2cccc(C)c2n1
InChIInChI=1S/C11H10ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3
InChIKeyILOAZUIOTZZIBK-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2,8-dimethylquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,8-dimethylquinoline?
The IUPAC name of 4-chloro-2,8-dimethylquinoline (CID 809556) is 4-chloro-2,8-dimethylquinoline.
What is the SMILES notation for 4-chloro-2,8-dimethylquinoline?
The canonical SMILES for 4-chloro-2,8-dimethylquinoline is Cc1cc(Cl)c2cccc(C)c2n1.
What is the InChIKey of 4-chloro-2,8-dimethylquinoline?
The InChIKey is ILOAZUIOTZZIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3.
What are the key properties of 4-chloro-2,8-dimethylquinoline?
4-chloro-2,8-dimethylquinoline has a molecular weight of 191.66 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,8-dimethylquinoline is sourced from PubChem (CID 809556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).