2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline

C17H21ClN2 — CID 63445345

IUPAC2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline
SMILESCCC1CCCCN1c1cc(CCl)nc2ccccc12
InChIInChI=1S/C17H21ClN2/c1-2-14-7-5-6-10-20(14)17-11-13(12-18)19-16-9-4-3-8-15(16)17/h3-4,8-9,11,14H,2,5-7,10,12H2,1H3
InChIKeyWKOMMCHYYNGOAK-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.74
Rot. Bonds3

About 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline

2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline (PubChem CID 63445345) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline
PubChem CID63445345
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline
SMILESCCC1CCCCN1c1cc(CCl)nc2ccccc12
InChIInChI=1S/C17H21ClN2/c1-2-14-7-5-6-10-20(14)17-11-13(12-18)19-16-9-4-3-8-15(16)17/h3-4,8-9,11,14H,2,5-7,10,12H2,1H3
InChIKeyWKOMMCHYYNGOAK-UHFFFAOYSA-N
XLogP4.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)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

2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
CID 63375255
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612
[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 137363110
2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine
CID 63767577
[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 61254969
[(2S)-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-2-yl]methanol;dihydrochloride
CID 122509335
2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline
CID 63446436
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine
CID 63375259
[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol
CID 82753365

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline?
The IUPAC name of 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline (CID 63445345) is 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline.
What is the SMILES notation for 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline?
The canonical SMILES for 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline is CCC1CCCCN1c1cc(CCl)nc2ccccc12.
What is the InChIKey of 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline?
The InChIKey is WKOMMCHYYNGOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-2-14-7-5-6-10-20(14)17-11-13(12-18)19-16-9-4-3-8-15(16)17/h3-4,8-9,11,14H,2,5-7,10,12H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline?
2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline has a molecular weight of 288.82 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline is sourced from PubChem (CID 63445345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).