N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide

C19H18N4O3 — CID 9438354

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H18N4O3/c1-23(12-18(24)22-14-4-6-15(26-2)7-5-14)19(25)13-3-8-16-17(11-13)21-10-9-20-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyKUJHOSZPBPEHLB-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide (PubChem CID 9438354) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
PubChem CID9438354
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H18N4O3/c1-23(12-18(24)22-14-4-6-15(26-2)7-5-14)19(25)13-3-8-16-17(11-13)21-10-9-20-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyKUJHOSZPBPEHLB-UHFFFAOYSA-N
XLogP2.35
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719235
4-(dimethylamino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9431432
3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46431000
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 18126088
5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9089320
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 9438552
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide (CID 9438354) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide?
The InChIKey is KUJHOSZPBPEHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-23(12-18(24)22-14-4-6-15(26-2)7-5-14)19(25)13-3-8-16-17(11-13)21-10-9-20-16/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide is sourced from PubChem (CID 9438354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).