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

C27H28N4O4 — CID 53091019

IUPAC4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCOc1ccc(CNC(=O)CN2C(=O)CN(C(=O)Nc3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C27H28N4O4/c1-3-35-22-14-10-20(11-15-22)16-28-25(32)17-30-23-6-4-5-7-24(23)31(18-26(30)33)27(34)29-21-12-8-19(2)9-13-21/h4-15H,3,16-18H2,1-2H3,(H,28,32)(H,29,34)
InChIKeyAKSLYBMCKFWQMM-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.10
Rot. Bonds7

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

4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 53091019) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID53091019
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCOc1ccc(CNC(=O)CN2C(=O)CN(C(=O)Nc3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C27H28N4O4/c1-3-35-22-14-10-20(11-15-22)16-28-25(32)17-30-23-6-4-5-7-24(23)31(18-26(30)33)27(34)29-21-12-8-19(2)9-13-21/h4-15H,3,16-18H2,1-2H3,(H,28,32)(H,29,34)
InChIKeyAKSLYBMCKFWQMM-UHFFFAOYSA-N
XLogP4.10
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091020
4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091082
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-methylphenyl)-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091021
N-(4-ethoxyphenyl)-3-oxo-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2H-quinoxaline-1-carboxamide
CID 95075252
4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53008743
4-[2-(3-methylbutylamino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091000
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
4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091089
N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579816

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of 4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide (CID 53091019) is 4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for 4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for 4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide is CCOc1ccc(CNC(=O)CN2C(=O)CN(C(=O)Nc3ccc(C)cc3)c3ccccc32)cc1.
What is the InChIKey of 4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is AKSLYBMCKFWQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-3-35-22-14-10-20(11-15-22)16-28-25(32)17-30-23-6-4-5-7-24(23)31(18-26(30)33)27(34)29-21-12-8-19(2)9-13-21/h4-15H,3,16-18H2,1-2H3,(H,28,32)(H,29,34).
What are the key properties of 4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 53091019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).