2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine

C16H19ClN2 — CID 63375259

IUPAC2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine
SMILESCN(c1cc(CCl)nc2ccccc12)C1CCCC1
InChIInChI=1S/C16H19ClN2/c1-19(13-6-2-3-7-13)16-10-12(11-17)18-15-9-5-4-8-14(15)16/h4-5,8-10,13H,2-3,6-7,11H2,1H3
InChIKeyRLGBMWUAXPUDPZ-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.35
Rot. Bonds3

About 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine

2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine (PubChem CID 63375259) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine
PubChem CID63375259
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine
SMILESCN(c1cc(CCl)nc2ccccc12)C1CCCC1
InChIInChI=1S/C16H19ClN2/c1-19(13-6-2-3-7-13)16-10-12(11-17)18-15-9-5-4-8-14(15)16/h4-5,8-10,13H,2-3,6-7,11H2,1H3
InChIKeyRLGBMWUAXPUDPZ-UHFFFAOYSA-N
XLogP4.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-methyl-2-(methylaminomethyl)quinolin-4-amine
CID 55183416
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
CID 63373861
2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine
CID 63445504
2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 112663634
[2-[cyclopentyl(methyl)amino]quinolin-4-yl]methanol
CID 61255815
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81061779
N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296
2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline
CID 63446436
2-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
CID 63375308
2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
CID 115485759
2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
CID 63375255

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine (CID 63375259) is 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine is CN(c1cc(CCl)nc2ccccc12)C1CCCC1.
What is the InChIKey of 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine?
The InChIKey is RLGBMWUAXPUDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-19(13-6-2-3-7-13)16-10-12(11-17)18-15-9-5-4-8-14(15)16/h4-5,8-10,13H,2-3,6-7,11H2,1H3.
What are the key properties of 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine?
2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine has a molecular weight of 274.80 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine is sourced from PubChem (CID 63375259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).