N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide

C26H25ClN4O3 — CID 22579781

IUPACN-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN4O3/c27-21-12-10-19(11-13-21)14-15-28-24(32)17-30-22-8-4-5-9-23(22)31(18-25(30)33)26(34)29-16-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,28,32)(H,29,34)
InChIKeyDPTHBIWTIRLDPH-UHFFFAOYSA-N
MW476.96 g/mol
LogP3.76
Rot. Bonds7

About N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide

N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 22579781) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID22579781
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC NameN-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN4O3/c27-21-12-10-19(11-13-21)14-15-28-24(32)17-30-22-8-4-5-9-23(22)31(18-25(30)33)26(34)29-16-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,28,32)(H,29,34)
InChIKeyDPTHBIWTIRLDPH-UHFFFAOYSA-N
XLogP3.76
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579826
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-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3660987
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 4599471
4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091020
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091019
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (CID 22579781) is N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is DPTHBIWTIRLDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c27-21-12-10-19(11-13-21)14-15-28-24(32)17-30-22-8-4-5-9-23(22)31(18-25(30)33)26(34)29-16-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,28,32)(H,29,34).
What are the key properties of N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 476.96 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 22579781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).