5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine

C16H19ClN2 — CID 64500044

IUPAC5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine
SMILESCCC1CCC(Nc2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C16H19ClN2/c1-2-11-5-6-12(10-11)19-15-8-7-14(17)13-4-3-9-18-16(13)15/h3-4,7-9,11-12,19H,2,5-6,10H2,1H3
InChIKeyUWAMTJQZBBTZHH-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.88
Rot. Bonds3

About 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine

5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine (PubChem CID 64500044) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine
PubChem CID64500044
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine
SMILESCCC1CCC(Nc2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C16H19ClN2/c1-2-11-5-6-12(10-11)19-15-8-7-14(17)13-4-3-9-18-16(13)15/h3-4,7-9,11-12,19H,2,5-6,10H2,1H3
InChIKeyUWAMTJQZBBTZHH-UHFFFAOYSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine?
The IUPAC name of 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine (CID 64500044) is 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine?
The canonical SMILES for 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine is CCC1CCC(Nc2ccc(Cl)c3cccnc23)C1.
What is the InChIKey of 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine?
The InChIKey is UWAMTJQZBBTZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-11-5-6-12(10-11)19-15-8-7-14(17)13-4-3-9-18-16(13)15/h3-4,7-9,11-12,19H,2,5-6,10H2,1H3.
What are the key properties of 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine?
5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine has a molecular weight of 274.79 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine is sourced from PubChem (CID 64500044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).