3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine

C13H13ClN2 — CID 169474297

IUPAC3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H13ClN2/c1-15-8-2-3-10-4-6-12-11(9-10)5-7-13(14)16-12/h2-7,9,15H,8H2,1H3
InChIKeySIMLEJNAQIIXMJ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.12
Rot. Bonds3

About 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine

3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine (PubChem CID 169474297) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine
PubChem CID169474297
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H13ClN2/c1-15-8-2-3-10-4-6-12-11(9-10)5-7-13(14)16-12/h2-7,9,15H,8H2,1H3
InChIKeySIMLEJNAQIIXMJ-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474620
3-(2-chloroquinolin-6-yl)prop-2-enenitrile
CID 169484090
9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate
CID 169470295
3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine
CID 169473733
2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol
CID 169473192
3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473168
(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114867476
5-[3-(methylamino)prop-1-enyl]pyridin-2-amine
CID 169473070
2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine
CID 168592512
6-hex-1-enyl-2-methylquinoline
CID 54532579
3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169473141
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine (CID 169474297) is 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine is CNCC=Cc1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine?
The InChIKey is SIMLEJNAQIIXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-15-8-2-3-10-4-6-12-11(9-10)5-7-13(14)16-12/h2-7,9,15H,8H2,1H3.
What are the key properties of 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine?
3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine has a molecular weight of 232.71 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).