2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide

C23H27N4O+ — CID 7306334

IUPAC2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H26N4O/c1-3-17-8-10-18(11-9-17)22-16-20(19-6-4-5-7-21(19)24-22)23(28)25-27-14-12-26(2)13-15-27/h4-11,16H,3,12-15H2,1-2H3,(H,25,28)/p+1
InChIKeyBXJXHXNSQWRVHT-UHFFFAOYSA-O
MW375.50 g/mol
LogP1.94
Rot. Bonds4

About 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide

2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide (PubChem CID 7306334) has the molecular formula C23H27N4O+ and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide
PubChem CID7306334
Molecular FormulaC23H27N4O+
Molecular Weight375.50 g/mol
Exact Mass375.22
IUPAC Name2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H26N4O/c1-3-17-8-10-18(11-9-17)22-16-20(19-6-4-5-7-21(19)24-22)23(28)25-27-14-12-26(2)13-15-27/h4-11,16H,3,12-15H2,1-2H3,(H,25,28)/p+1
InChIKeyBXJXHXNSQWRVHT-UHFFFAOYSA-O
XLogP1.94
TPSA49.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-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-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 4286720
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329
N-morpholin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2374192
2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 4095752
2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
CID 145465198
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide (CID 7306334) is 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide?
The InChIKey is BXJXHXNSQWRVHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N4O/c1-3-17-8-10-18(11-9-17)22-16-20(19-6-4-5-7-21(19)24-22)23(28)25-27-14-12-26(2)13-15-27/h4-11,16H,3,12-15H2,1-2H3,(H,25,28)/p+1.
What are the key properties of 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide?
2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 7306334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).