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

C26H26N4O4 — CID 53091095

IUPACN-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)cc1
InChIInChI=1S/C26H26N4O4/c1-3-34-20-14-12-19(13-15-20)27-26(33)30-17-25(32)29(22-10-6-7-11-23(22)30)16-24(31)28-21-9-5-4-8-18(21)2/h4-15H,3,16-17H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyFWVCUIPEBXKEBY-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.42
Rot. Bonds6

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

N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 53091095) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID53091095
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)cc1
InChIInChI=1S/C26H26N4O4/c1-3-34-20-14-12-19(13-15-20)27-26(33)30-17-25(32)29(22-10-6-7-11-23(22)30)16-24(31)28-21-9-5-4-8-18(21)2/h4-15H,3,16-17H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyFWVCUIPEBXKEBY-UHFFFAOYSA-N
XLogP4.42
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53008743
N-(4-ethoxyphenyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-quinoxaline-1-carboxamide
CID 53091096
4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091019
N-(4-ethoxyphenyl)-3-oxo-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2H-quinoxaline-1-carboxamide
CID 95075252
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-(4-ethoxyphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878126
N-(4-methylphenyl)-4-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091014
4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091020
2-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 6201661
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (CID 53091095) is N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is FWVCUIPEBXKEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-3-34-20-14-12-19(13-15-20)27-26(33)30-17-25(32)29(22-10-6-7-11-23(22)30)16-24(31)28-21-9-5-4-8-18(21)2/h4-15H,3,16-17H2,1-2H3,(H,27,33)(H,28,31).
What are the key properties of N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 53091095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).