2-(2-chloro-3-cyclobutylpropyl)quinoline

C16H18ClN — CID 103167493

IUPAC2-(2-chloro-3-cyclobutylpropyl)quinoline
SMILESClC(Cc1ccc2ccccc2n1)CC1CCC1
InChIInChI=1S/C16H18ClN/c17-14(10-12-4-3-5-12)11-15-9-8-13-6-1-2-7-16(13)18-15/h1-2,6-9,12,14H,3-5,10-11H2
InChIKeyFONOIPKJJCRSFK-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.57
Rot. Bonds4

About 2-(2-chloro-3-cyclobutylpropyl)quinoline

2-(2-chloro-3-cyclobutylpropyl)quinoline (PubChem CID 103167493) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-(2-chloro-3-cyclobutylpropyl)quinoline.

Molecular Properties

Compound Name2-(2-chloro-3-cyclobutylpropyl)quinoline
PubChem CID103167493
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name2-(2-chloro-3-cyclobutylpropyl)quinoline
SMILESClC(Cc1ccc2ccccc2n1)CC1CCC1
InChIInChI=1S/C16H18ClN/c17-14(10-12-4-3-5-12)11-15-9-8-13-6-1-2-7-16(13)18-15/h1-2,6-9,12,14H,3-5,10-11H2
InChIKeyFONOIPKJJCRSFK-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-3-cyclobutylpropyl)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-(2-chloro-3-cycloheptylpropyl)quinoline
CID 114459396
(1-cyclobutyl-3-quinolin-2-ylpropan-2-yl)hydrazine
CID 103170611
(1-cyclopropyl-3-quinolin-2-ylpropan-2-yl)hydrazine
CID 105254026
2-[2-chloro-4-(oxan-2-yl)butyl]quinoline
CID 66460957
1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline
CID 103558627
2-cyclopentyl-1-quinolin-2-ylethanamine
CID 63222470
1-(oxolan-3-yl)-3-quinolin-2-ylpropan-2-ol
CID 103986478
[1-(oxolan-2-yl)-2-quinolin-2-ylethyl]hydrazine
CID 105228979
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865
2-(2-fluoro-2-pyrrolidin-2-ylethyl)quinoline
CID 106640483

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-cyclobutylpropyl)quinoline?
The IUPAC name of 2-(2-chloro-3-cyclobutylpropyl)quinoline (CID 103167493) is 2-(2-chloro-3-cyclobutylpropyl)quinoline.
What is the SMILES notation for 2-(2-chloro-3-cyclobutylpropyl)quinoline?
The canonical SMILES for 2-(2-chloro-3-cyclobutylpropyl)quinoline is ClC(Cc1ccc2ccccc2n1)CC1CCC1.
What is the InChIKey of 2-(2-chloro-3-cyclobutylpropyl)quinoline?
The InChIKey is FONOIPKJJCRSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c17-14(10-12-4-3-5-12)11-15-9-8-13-6-1-2-7-16(13)18-15/h1-2,6-9,12,14H,3-5,10-11H2.
What are the key properties of 2-(2-chloro-3-cyclobutylpropyl)quinoline?
2-(2-chloro-3-cyclobutylpropyl)quinoline has a molecular weight of 259.78 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-cyclobutylpropyl)quinoline is sourced from PubChem (CID 103167493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).