4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide

C26H25ClN4O4 — CID 53008743

IUPAC4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)Nc3cccc(Cl)c3C)c3ccccc32)cc1
InChIInChI=1S/C26H25ClN4O4/c1-3-35-19-13-11-18(12-14-19)28-26(34)31-16-25(33)30(22-9-4-5-10-23(22)31)15-24(32)29-21-8-6-7-20(27)17(21)2/h4-14H,3,15-16H2,1-2H3,(H,28,34)(H,29,32)
InChIKeyLZJHHQZJFHDCGX-UHFFFAOYSA-N
MW492.96 g/mol
LogP5.07
Rot. Bonds6

About 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide

4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 53008743) has the molecular formula C26H25ClN4O4 and a molecular weight of 492.96 g/mol. Its IUPAC name is 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID53008743
Molecular FormulaC26H25ClN4O4
Molecular Weight492.96 g/mol
Exact Mass492.16
IUPAC Name4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)Nc3cccc(Cl)c3C)c3ccccc32)cc1
InChIInChI=1S/C26H25ClN4O4/c1-3-35-19-13-11-18(12-14-19)28-26(34)31-16-25(33)30(22-9-4-5-10-23(22)31)15-24(32)29-21-8-6-7-20(27)17(21)2/h4-14H,3,15-16H2,1-2H3,(H,28,34)(H,29,32)
InChIKeyLZJHHQZJFHDCGX-UHFFFAOYSA-N
XLogP5.07
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091095
N-(4-ethoxyphenyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-quinoxaline-1-carboxamide
CID 53091096
N-(4-ethoxyphenyl)-3-oxo-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2H-quinoxaline-1-carboxamide
CID 95075252
4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091019
4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091082
4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091089
4-[2-(3-methylbutylamino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091000
N-(3-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 20952870
N-(3-chloro-2-methylphenyl)-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 53025402
N-(3-chloro-2-methylphenyl)-2-[4-(4-ethylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53084815
N-(3-chloro-2-methylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409254
N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 3289227

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide (CID 53008743) is 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide is CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)Nc3cccc(Cl)c3C)c3ccccc32)cc1.
What is the InChIKey of 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is LZJHHQZJFHDCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O4/c1-3-35-19-13-11-18(12-14-19)28-26(34)31-16-25(33)30(22-9-4-5-10-23(22)31)15-24(32)29-21-8-6-7-20(27)17(21)2/h4-14H,3,15-16H2,1-2H3,(H,28,34)(H,29,32).
What are the key properties of 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 492.96 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 53008743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).