N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide

C27H36N6O3 — CID 22579826

IUPACN-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCN1CCN(CCCNC(=O)CN2C(=O)CN(C(=O)NCc3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C27H36N6O3/c1-2-30-15-17-31(18-16-30)14-8-13-28-25(34)20-32-23-11-6-7-12-24(23)33(21-26(32)35)27(36)29-19-22-9-4-3-5-10-22/h3-7,9-12H,2,8,13-21H2,1H3,(H,28,34)(H,29,36)
InChIKeyPCTPYMUEMXZPNS-UHFFFAOYSA-N
MW492.62 g/mol
LogP1.89
Rot. Bonds9

About N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide

N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 22579826) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID22579826
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC NameN-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCN1CCN(CCCNC(=O)CN2C(=O)CN(C(=O)NCc3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C27H36N6O3/c1-2-30-15-17-31(18-16-30)14-8-13-28-25(34)20-32-23-11-6-7-12-24(23)33(21-26(32)35)27(36)29-19-22-9-4-3-5-10-22/h3-7,9-12H,2,8,13-21H2,1H3,(H,28,34)(H,29,36)
InChIKeyPCTPYMUEMXZPNS-UHFFFAOYSA-N
XLogP1.89
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-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

N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579816
N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide
CID 22579766
N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579781
N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579787
4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579762
N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579814
N-benzyl-4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579772
N-(4-methylphenyl)-4-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091014
N-(4-methylphenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
CID 53091004
N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
CID 53091048
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide
CID 22575285
4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091019

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (CID 22579826) is N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is CCN1CCN(CCCNC(=O)CN2C(=O)CN(C(=O)NCc3ccccc3)c3ccccc32)CC1.
What is the InChIKey of N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is PCTPYMUEMXZPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-2-30-15-17-31(18-16-30)14-8-13-28-25(34)20-32-23-11-6-7-12-24(23)33(21-26(32)35)27(36)29-19-22-9-4-3-5-10-22/h3-7,9-12H,2,8,13-21H2,1H3,(H,28,34)(H,29,36).
What are the key properties of N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 22579826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).