6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine

C18H23ClN2 — CID 65083838

IUPAC6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine
SMILESCCC1CCCC(Nc2cc(Cl)cc3cccnc23)CC1
InChIInChI=1S/C18H23ClN2/c1-2-13-5-3-7-16(9-8-13)21-17-12-15(19)11-14-6-4-10-20-18(14)17/h4,6,10-13,16,21H,2-3,5,7-9H2,1H3
InChIKeyJVWXFBXUAKMIAC-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.66
Rot. Bonds3

About 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine

6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine (PubChem CID 65083838) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine
PubChem CID65083838
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine
SMILESCCC1CCCC(Nc2cc(Cl)cc3cccnc23)CC1
InChIInChI=1S/C18H23ClN2/c1-2-13-5-3-7-16(9-8-13)21-17-12-15(19)11-14-6-4-10-20-18(14)17/h4,6,10-13,16,21H,2-3,5,7-9H2,1H3
InChIKeyJVWXFBXUAKMIAC-UHFFFAOYSA-N
XLogP5.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine?
The IUPAC name of 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine (CID 65083838) is 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine.
What is the SMILES notation for 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine?
The canonical SMILES for 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine is CCC1CCCC(Nc2cc(Cl)cc3cccnc23)CC1.
What is the InChIKey of 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine?
The InChIKey is JVWXFBXUAKMIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-2-13-5-3-7-16(9-8-13)21-17-12-15(19)11-14-6-4-10-20-18(14)17/h4,6,10-13,16,21H,2-3,5,7-9H2,1H3.
What are the key properties of 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine?
6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine has a molecular weight of 302.85 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine is sourced from PubChem (CID 65083838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).