6-(2-chloroethyl)quinoline

C11H10ClN — CID 53404433

IUPAC6-(2-chloroethyl)quinoline
SMILESClCCc1ccc2ncccc2c1
InChIInChI=1S/C11H10ClN/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h1-4,7-8H,5-6H2
InChIKeyLTMSMSLODQKBFL-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.02
Rot. Bonds2

About 6-(2-chloroethyl)quinoline

6-(2-chloroethyl)quinoline (PubChem CID 53404433) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 6-(2-chloroethyl)quinoline.

Molecular Properties

Compound Name6-(2-chloroethyl)quinoline
PubChem CID53404433
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name6-(2-chloroethyl)quinoline
SMILESClCCc1ccc2ncccc2c1
InChIInChI=1S/C11H10ClN/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h1-4,7-8H,5-6H2
InChIKeyLTMSMSLODQKBFL-UHFFFAOYSA-N
XLogP3.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(2-chloroethyl)quinoline 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-(2-bromoethyl)quinoline
CID 68811984
3-quinolin-6-ylpropanenitrile
CID 53417284
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 113469085
4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
6-(2-chloroethyl)-3-methylquinoline
CID 116997430
6-[4-(chloromethyl)phenoxy]quinoline
CID 82093013
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
N-methyl-1-quinolin-6-ylpentan-3-amine
CID 81221541
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethyl)quinoline?
The IUPAC name of 6-(2-chloroethyl)quinoline (CID 53404433) is 6-(2-chloroethyl)quinoline.
What is the SMILES notation for 6-(2-chloroethyl)quinoline?
The canonical SMILES for 6-(2-chloroethyl)quinoline is ClCCc1ccc2ncccc2c1.
What is the InChIKey of 6-(2-chloroethyl)quinoline?
The InChIKey is LTMSMSLODQKBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h1-4,7-8H,5-6H2.
What are the key properties of 6-(2-chloroethyl)quinoline?
6-(2-chloroethyl)quinoline has a molecular weight of 191.66 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)quinoline is sourced from PubChem (CID 53404433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).