N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide

C24H27N5O3 — CID 46504475

IUPACN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)ccc3n2)CC1
InChIInChI=1S/C24H27N5O3/c1-3-27-10-12-28(13-11-27)23-14-17(2)21-16-19(6-9-22(21)26-23)25-24(30)15-18-4-7-20(8-5-18)29(31)32/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,30)
InChIKeyFKGQCGFFUXHPNS-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide (PubChem CID 46504475) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide
PubChem CID46504475
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)ccc3n2)CC1
InChIInChI=1S/C24H27N5O3/c1-3-27-10-12-28(13-11-27)23-14-17(2)21-16-19(6-9-22(21)26-23)25-24(30)15-18-4-7-20(8-5-18)29(31)32/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,30)
InChIKeyFKGQCGFFUXHPNS-UHFFFAOYSA-N
XLogP3.77
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 22421740
4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 44522357
3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364134
3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide
CID 142905279
3-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 15987637
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 58646209
(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
CID 45488246
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[(3S)-3-methylpiperidin-1-yl]-4-oxobutanamide
CID 92655611
tert-butyl N-[2-[[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]carbamothioylamino]ethyl]carbamate
CID 156719560
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[[2-(4-methylphenyl)acetyl]amino]quinoline-4-carboxylic acid
CID 46327046
2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
CID 22421737

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide (CID 46504475) is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide is CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)ccc3n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide?
The InChIKey is FKGQCGFFUXHPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-3-27-10-12-28(13-11-27)23-14-17(2)21-16-19(6-9-22(21)26-23)25-24(30)15-18-4-7-20(8-5-18)29(31)32/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide?
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 46504475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).