2-(2-chloro-3-cycloheptylpropyl)quinoline

C19H24ClN — CID 114459396

IUPAC2-(2-chloro-3-cycloheptylpropyl)quinoline
SMILESClC(Cc1ccc2ccccc2n1)CC1CCCCCC1
InChIInChI=1S/C19H24ClN/c20-17(13-15-7-3-1-2-4-8-15)14-18-12-11-16-9-5-6-10-19(16)21-18/h5-6,9-12,15,17H,1-4,7-8,13-14H2
InChIKeyOYAVTDGZTRYKOF-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.75
Rot. Bonds4

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

2-(2-chloro-3-cycloheptylpropyl)quinoline (PubChem CID 114459396) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-(2-chloro-3-cycloheptylpropyl)quinoline.

Molecular Properties

Compound Name2-(2-chloro-3-cycloheptylpropyl)quinoline
PubChem CID114459396
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-(2-chloro-3-cycloheptylpropyl)quinoline
SMILESClC(Cc1ccc2ccccc2n1)CC1CCCCCC1
InChIInChI=1S/C19H24ClN/c20-17(13-15-7-3-1-2-4-8-15)14-18-12-11-16-9-5-6-10-19(16)21-18/h5-6,9-12,15,17H,1-4,7-8,13-14H2
InChIKeyOYAVTDGZTRYKOF-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3-cyclobutylpropyl)quinoline
CID 103167493
(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
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
2-cyclopentyl-1-quinolin-2-ylethanamine
CID 63222470
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline
CID 103558627
O-[2-cyclohexyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 10619562
N-(quinolin-2-ylmethyl)cyclohexanamine
CID 28774764
[1-(oxolan-2-yl)-2-quinolin-2-ylethyl]hydrazine
CID 105228979
1-(oxolan-3-yl)-3-quinolin-2-ylpropan-2-ol
CID 103986478

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-cycloheptylpropyl)quinoline?
The IUPAC name of 2-(2-chloro-3-cycloheptylpropyl)quinoline (CID 114459396) is 2-(2-chloro-3-cycloheptylpropyl)quinoline.
What is the SMILES notation for 2-(2-chloro-3-cycloheptylpropyl)quinoline?
The canonical SMILES for 2-(2-chloro-3-cycloheptylpropyl)quinoline is ClC(Cc1ccc2ccccc2n1)CC1CCCCCC1.
What is the InChIKey of 2-(2-chloro-3-cycloheptylpropyl)quinoline?
The InChIKey is OYAVTDGZTRYKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c20-17(13-15-7-3-1-2-4-8-15)14-18-12-11-16-9-5-6-10-19(16)21-18/h5-6,9-12,15,17H,1-4,7-8,13-14H2.
What are the key properties of 2-(2-chloro-3-cycloheptylpropyl)quinoline?
2-(2-chloro-3-cycloheptylpropyl)quinoline has a molecular weight of 301.86 g/mol, XLogP of 5.75, 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-cycloheptylpropyl)quinoline is sourced from PubChem (CID 114459396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).