N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide

C21H21ClN4O4 — CID 53097761

IUPACN-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O
InChIInChI=1S/C21H21ClN4O4/c1-4-19(28)25(2)20-21(29)26(16-8-6-5-7-15(16)24-20)12-18(27)23-13-9-10-17(30-3)14(22)11-13/h5-11H,4,12H2,1-3H3,(H,23,27)
InChIKeyOGWJOQREGQKZJY-UHFFFAOYSA-N
MW428.88 g/mol
LogP3.07
Rot. Bonds6

About N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide

N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide (PubChem CID 53097761) has the molecular formula C21H21ClN4O4 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
PubChem CID53097761
Molecular FormulaC21H21ClN4O4
Molecular Weight428.88 g/mol
Exact Mass428.13
IUPAC NameN-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O
InChIInChI=1S/C21H21ClN4O4/c1-4-19(28)25(2)20-21(29)26(16-8-6-5-7-15(16)24-20)12-18(27)23-13-9-10-17(30-3)14(22)11-13/h5-11H,4,12H2,1-3H3,(H,23,27)
InChIKeyOGWJOQREGQKZJY-UHFFFAOYSA-N
XLogP3.07
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(4-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097778
N-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53097764
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097759
N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097774
N-[4-[2-(2-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097745
N-[4-[2-(2,6-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097742
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(4-ethylphenyl)acetamide
CID 53097720
N-(3-chloro-4-methoxyphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 22424831
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 86997374
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767925
2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 53097867

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide?
The IUPAC name of N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide (CID 53097761) is N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide is CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O.
What is the InChIKey of N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide?
The InChIKey is OGWJOQREGQKZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4/c1-4-19(28)25(2)20-21(29)26(16-8-6-5-7-15(16)24-20)12-18(27)23-13-9-10-17(30-3)14(22)11-13/h5-11H,4,12H2,1-3H3,(H,23,27).
What are the key properties of N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide?
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide has a molecular weight of 428.88 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 53097761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).