8-chloro-N-ethyl-3-propylquinolin-2-amine

C14H17ClN2 — CID 55224873

IUPAC8-chloro-N-ethyl-3-propylquinolin-2-amine
SMILESCCCc1cc2cccc(Cl)c2nc1NCC
InChIInChI=1S/C14H17ClN2/c1-3-6-11-9-10-7-5-8-12(15)13(10)17-14(11)16-4-2/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyJDVJLZFTZJIHGD-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.27
Rot. Bonds4

About 8-chloro-N-ethyl-3-propylquinolin-2-amine

8-chloro-N-ethyl-3-propylquinolin-2-amine (PubChem CID 55224873) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 8-chloro-N-ethyl-3-propylquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-ethyl-3-propylquinolin-2-amine
PubChem CID55224873
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name8-chloro-N-ethyl-3-propylquinolin-2-amine
SMILESCCCc1cc2cccc(Cl)c2nc1NCC
InChIInChI=1S/C14H17ClN2/c1-3-6-11-9-10-7-5-8-12(15)13(10)17-14(11)16-4-2/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyJDVJLZFTZJIHGD-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-N-ethyl-3-propylquinolin-2-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 8-chloro-N-ethyl-3-propylquinolin-2-amine?
The IUPAC name of 8-chloro-N-ethyl-3-propylquinolin-2-amine (CID 55224873) is 8-chloro-N-ethyl-3-propylquinolin-2-amine.
What is the SMILES notation for 8-chloro-N-ethyl-3-propylquinolin-2-amine?
The canonical SMILES for 8-chloro-N-ethyl-3-propylquinolin-2-amine is CCCc1cc2cccc(Cl)c2nc1NCC.
What is the InChIKey of 8-chloro-N-ethyl-3-propylquinolin-2-amine?
The InChIKey is JDVJLZFTZJIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-3-6-11-9-10-7-5-8-12(15)13(10)17-14(11)16-4-2/h5,7-9H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 8-chloro-N-ethyl-3-propylquinolin-2-amine?
8-chloro-N-ethyl-3-propylquinolin-2-amine has a molecular weight of 248.76 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-ethyl-3-propylquinolin-2-amine is sourced from PubChem (CID 55224873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).