N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide

C22H24N4O — CID 99147654

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C22H24N4O/c1-2-25-13-15-26(16-14-25)20-11-4-3-10-19(20)24-22(27)18-9-5-7-17-8-6-12-23-21(17)18/h3-12H,2,13-16H2,1H3,(H,24,27)
InChIKeyIGCYGGFTGBEDNB-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide (PubChem CID 99147654) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
PubChem CID99147654
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C22H24N4O/c1-2-25-13-15-26(16-14-25)20-11-4-3-10-19(20)24-22(27)18-9-5-7-17-8-6-12-23-21(17)18/h3-12H,2,13-16H2,1H3,(H,24,27)
InChIKeyIGCYGGFTGBEDNB-UHFFFAOYSA-N
XLogP3.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 91675791
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 39911869
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109104633
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51111979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide (CID 99147654) is N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide is CCN1CCN(c2ccccc2NC(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide?
The InChIKey is IGCYGGFTGBEDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-25-13-15-26(16-14-25)20-11-4-3-10-19(20)24-22(27)18-9-5-7-17-8-6-12-23-21(17)18/h3-12H,2,13-16H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 99147654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).