7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine

C17H21ClN2 — CID 64742610

IUPAC7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
SMILESCCC1CCCC(Nc2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C17H21ClN2/c1-2-12-4-3-5-14(10-12)20-16-8-9-19-17-11-13(18)6-7-15(16)17/h6-9,11-12,14H,2-5,10H2,1H3,(H,19,20)
InChIKeyXUFVSZSNUVUBLW-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.27
Rot. Bonds3

About 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine

7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine (PubChem CID 64742610) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
PubChem CID64742610
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
SMILESCCC1CCCC(Nc2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C17H21ClN2/c1-2-12-4-3-5-14(10-12)20-16-8-9-19-17-11-13(18)6-7-15(16)17/h6-9,11-12,14H,2-5,10H2,1H3,(H,19,20)
InChIKeyXUFVSZSNUVUBLW-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-[[3-[[(7-chloroquinolin-4-yl)amino]methyl]cyclohexyl]methyl]quinolin-4-amine
CID 54463562
7-chloro-N-(3-methylsulfanylcyclopentyl)quinolin-4-amine
CID 103704139
7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine
CID 57199203
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
cis-(1R,3S)-1-N-[(4-chlorophenyl)methyl]-3-N-(7-chloroquinolin-4-yl)cyclopentane-1,3-diamine;dihydrochloride
CID 70199639
N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682
5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 64742832
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
4-N-(3-ethylcyclohexyl)quinoline-4,8-diamine
CID 83060747
7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine
CID 133281768
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine (CID 64742610) is 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine is CCC1CCCC(Nc2ccnc3cc(Cl)ccc23)C1.
What is the InChIKey of 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine?
The InChIKey is XUFVSZSNUVUBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-2-12-4-3-5-14(10-12)20-16-8-9-19-17-11-13(18)6-7-15(16)17/h6-9,11-12,14H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine?
7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine has a molecular weight of 288.82 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine is sourced from PubChem (CID 64742610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).