N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide

C26H32N4O4 — CID 24982620

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3nc(CC)c(CC)nc3c2)cc1OCC
InChIInChI=1S/C26H32N4O4/c1-6-19-20(7-2)29-22-14-17(10-12-21(22)28-19)26(32)30(5)16-25(31)27-18-11-13-23(33-8-3)24(15-18)34-9-4/h10-15H,6-9,16H2,1-5H3,(H,27,31)
InChIKeyUXWGCQMAOHZKIN-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.26
Rot. Bonds10

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide (PubChem CID 24982620) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
PubChem CID24982620
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3nc(CC)c(CC)nc3c2)cc1OCC
InChIInChI=1S/C26H32N4O4/c1-6-19-20(7-2)29-22-14-17(10-12-21(22)28-19)26(32)30(5)16-25(31)27-18-11-13-23(33-8-3)24(15-18)34-9-4/h10-15H,6-9,16H2,1-5H3,(H,27,31)
InChIKeyUXWGCQMAOHZKIN-UHFFFAOYSA-N
XLogP4.26
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2,3-diethyl-6-quinoxalinecarboxamide
CID 2464350
N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide
CID 10414406
8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
CID 10508078
7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
CID 10817617
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
CID 11123392
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide
CID 654879
Quinoxaline-6-carboxylic acid (4-ethoxy-phenyl)-amide
CID 858920
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide
CID 2546084
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
CID 3238710
N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide
CID 4617636
N-(sec-butyl)-2,3-bis(3,4-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 5071619
N-(2,2-dimethoxyethyl)-2,3-bis(3,4-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 5071625

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide (CID 24982620) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3nc(CC)c(CC)nc3c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide?
The InChIKey is UXWGCQMAOHZKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-6-19-20(7-2)29-22-14-17(10-12-21(22)28-19)26(32)30(5)16-25(31)27-18-11-13-23(33-8-3)24(15-18)34-9-4/h10-15H,6-9,16H2,1-5H3,(H,27,31).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide is sourced from PubChem (CID 24982620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).