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

C17H21ClN2 — CID 65081017

IUPAC6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine
SMILESCC1CCCC(Nc2cc(Cl)cc3cccnc23)CC1
InChIInChI=1S/C17H21ClN2/c1-12-4-2-6-15(8-7-12)20-16-11-14(18)10-13-5-3-9-19-17(13)16/h3,5,9-12,15,20H,2,4,6-8H2,1H3
InChIKeySCGRYUQWXZSZHJ-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.27
Rot. Bonds2

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

6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine (PubChem CID 65081017) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine
PubChem CID65081017
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine
SMILESCC1CCCC(Nc2cc(Cl)cc3cccnc23)CC1
InChIInChI=1S/C17H21ClN2/c1-12-4-2-6-15(8-7-12)20-16-11-14(18)10-13-5-3-9-19-17(13)16/h3,5,9-12,15,20H,2,4,6-8H2,1H3
InChIKeySCGRYUQWXZSZHJ-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze 6-chloro-N-(4-methylcycloheptyl)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-methylcycloheptyl)quinolin-8-amine?
The IUPAC name of 6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine (CID 65081017) is 6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine.
What is the SMILES notation for 6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine?
The canonical SMILES for 6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine is CC1CCCC(Nc2cc(Cl)cc3cccnc23)CC1.
What is the InChIKey of 6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine?
The InChIKey is SCGRYUQWXZSZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-4-2-6-15(8-7-12)20-16-11-14(18)10-13-5-3-9-19-17(13)16/h3,5,9-12,15,20H,2,4,6-8H2,1H3.
What are the key properties of 6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine?
6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine has a molecular weight of 288.82 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylcycloheptyl)quinolin-8-amine is sourced from PubChem (CID 65081017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).