7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine

C17H19ClN2 — CID 11587318

IUPAC7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCC3=CCCCC3)ccnc2c1
InChIInChI=1S/C17H19ClN2/c18-14-6-7-15-16(9-11-20-17(15)12-14)19-10-8-13-4-2-1-3-5-13/h4,6-7,9,11-12H,1-3,5,8,10H2,(H,19,20)
InChIKeyHBXXAERKNRLROJ-UHFFFAOYSA-N
MW286.81 g/mol
LogP5.19
Rot. Bonds4

About 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine

7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine (PubChem CID 11587318) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine
PubChem CID11587318
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCC3=CCCCC3)ccnc2c1
InChIInChI=1S/C17H19ClN2/c18-14-6-7-15-16(9-11-20-17(15)12-14)19-10-8-13-4-2-1-3-5-13/h4,6-7,9,11-12H,1-3,5,8,10H2,(H,19,20)
InChIKeyHBXXAERKNRLROJ-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.81
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 70113412
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915
5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 63510110
N-butyl-7-chloroquinolin-4-amine
CID 10037042
7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine
CID 78955180
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-2-nitroaniline
CID 115469617
N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine
CID 58223366
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-2,4-diamine
CID 112885469
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine (CID 11587318) is 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine is Clc1ccc2c(NCCC3=CCCCC3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine?
The InChIKey is HBXXAERKNRLROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-14-6-7-15-16(9-11-20-17(15)12-14)19-10-8-13-4-2-1-3-5-13/h4,6-7,9,11-12H,1-3,5,8,10H2,(H,19,20).
What are the key properties of 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine?
7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine has a molecular weight of 286.81 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 11587318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).