N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine

C22H24ClN3 — CID 174513076

IUPACN-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine
SMILESCCN(c1ccc(Cl)cc1)C1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C22H24ClN3/c1-2-26(19-10-8-18(23)9-11-19)20-13-15-25(16-14-20)22-12-7-17-5-3-4-6-21(17)24-22/h3-12,20H,2,13-16H2,1H3
InChIKeyFZJCBWZTWYBBDZ-UHFFFAOYSA-N
MW365.91 g/mol
LogP5.38
Rot. Bonds4

About N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine

N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine (PubChem CID 174513076) has the molecular formula C22H24ClN3 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine
PubChem CID174513076
Molecular FormulaC22H24ClN3
Molecular Weight365.91 g/mol
Exact Mass365.17
IUPAC NameN-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine
SMILESCCN(c1ccc(Cl)cc1)C1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C22H24ClN3/c1-2-26(19-10-8-18(23)9-11-19)20-13-15-25(16-14-20)22-12-7-17-5-3-4-6-21(17)24-22/h3-12,20H,2,13-16H2,1H3
InChIKeyFZJCBWZTWYBBDZ-UHFFFAOYSA-N
XLogP5.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.91
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-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 N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine (CID 174513076) is N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine is CCN(c1ccc(Cl)cc1)C1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine?
The InChIKey is FZJCBWZTWYBBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3/c1-2-26(19-10-8-18(23)9-11-19)20-13-15-25(16-14-20)22-12-7-17-5-3-4-6-21(17)24-22/h3-12,20H,2,13-16H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine?
N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine has a molecular weight of 365.91 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine is sourced from PubChem (CID 174513076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).