N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride

C18H25ClN4O — CID 3063583

IUPACN,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(c2ccc3ccccc3n2)CC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-3-20(4-2)18(23)22-13-11-21(12-14-22)17-10-9-15-7-5-6-8-16(15)19-17;/h5-10H,3-4,11-14H2,1-2H3;1H
InChIKeyFDCNGKRLPFFIQP-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.24
Rot. Bonds3

About N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride

N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride (PubChem CID 3063583) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride
PubChem CID3063583
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(c2ccc3ccccc3n2)CC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-3-20(4-2)18(23)22-13-11-21(12-14-22)17-10-9-15-7-5-6-8-16(15)19-17;/h5-10H,3-4,11-14H2,1-2H3;1H
InChIKeyFDCNGKRLPFFIQP-UHFFFAOYSA-N
XLogP3.24
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride 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,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride (CID 3063583) is N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride is CCN(CC)C(=O)N1CCN(c2ccc3ccccc3n2)CC1.Cl.
What is the InChIKey of N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is FDCNGKRLPFFIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-3-20(4-2)18(23)22-13-11-21(12-14-22)17-10-9-15-7-5-6-8-16(15)19-17;/h5-10H,3-4,11-14H2,1-2H3;1H.
What are the key properties of N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride?
N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 3063583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).