N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine

C17H21ClN2 — CID 63388883

IUPACN-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1N(CCCl)C1CCCC1
InChIInChI=1S/C17H21ClN2/c1-13-12-14-6-2-5-9-16(14)19-17(13)20(11-10-18)15-7-3-4-8-15/h2,5-6,9,12,15H,3-4,7-8,10-11H2,1H3
InChIKeyARZKTRYVYUWHHC-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.53
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine

N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine (PubChem CID 63388883) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine
PubChem CID63388883
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1N(CCCl)C1CCCC1
InChIInChI=1S/C17H21ClN2/c1-13-12-14-6-2-5-9-16(14)19-17(13)20(11-10-18)15-7-3-4-8-15/h2,5-6,9,12,15H,3-4,7-8,10-11H2,1H3
InChIKeyARZKTRYVYUWHHC-UHFFFAOYSA-N
XLogP4.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine (CID 63388883) is N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine?
The InChIKey is ARZKTRYVYUWHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13-12-14-6-2-5-9-16(14)19-17(13)20(11-10-18)15-7-3-4-8-15/h2,5-6,9,12,15H,3-4,7-8,10-11H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine?
N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine has a molecular weight of 288.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine is sourced from PubChem (CID 63388883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).