3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine

C13H15ClN2 — CID 116985191

IUPAC3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cc2ccccc2nc1Cl
InChIInChI=1S/C13H15ClN2/c1-15-8-4-6-11-9-10-5-2-3-7-12(10)16-13(11)14/h2-3,5,7,9,15H,4,6,8H2,1H3
InChIKeyONSFRHPCHAXZLH-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.04
Rot. Bonds4

About 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine

3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine (PubChem CID 116985191) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
PubChem CID116985191
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cc2ccccc2nc1Cl
InChIInChI=1S/C13H15ClN2/c1-15-8-4-6-11-9-10-5-2-3-7-12(10)16-13(11)14/h2-3,5,7,9,15H,4,6,8H2,1H3
InChIKeyONSFRHPCHAXZLH-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
3-benzyl-2-chloroquinoline
CID 14001237
(2-chloroquinolin-3-yl)methanamine
CID 71748539
N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 29241212
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868283
2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline
CID 71595544
2-chloro-3-(3-methylbutan-2-ylsulfanylmethyl)quinoline
CID 107747458
2-chloro-3-[(2,5-dimethylphenyl)sulfanylmethyl]quinoline
CID 60652277
N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
CID 54938310
(2-chloroquinolin-3-yl)methyl methanesulfonate
CID 22388059

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine (CID 116985191) is 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine is CNCCCc1cc2ccccc2nc1Cl.
What is the InChIKey of 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine?
The InChIKey is ONSFRHPCHAXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-15-8-4-6-11-9-10-5-2-3-7-12(10)16-13(11)14/h2-3,5,7,9,15H,4,6,8H2,1H3.
What are the key properties of 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine?
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine has a molecular weight of 234.73 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 116985191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).