N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide

C18H17N3O4 — CID 46364976

IUPACN-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc3ccccc3n(C)c2=O)c1
InChIInChI=1S/C18H17N3O4/c1-21-14-7-5-4-6-12(14)19-16(18(21)23)17(22)20-13-10-11(24-2)8-9-15(13)25-3/h4-10H,1-3H3,(H,20,22)
InChIKeyKFVJKGZSXJOPAK-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.20
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide

N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46364976) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46364976
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc3ccccc3n(C)c2=O)c1
InChIInChI=1S/C18H17N3O4/c1-21-14-7-5-4-6-12(14)19-16(18(21)23)17(22)20-13-10-11(24-2)8-9-15(13)25-3/h4-10H,1-3H3,(H,20,22)
InChIKeyKFVJKGZSXJOPAK-UHFFFAOYSA-N
XLogP2.20
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249305
N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976122
N-[2-(2-ethoxyphenyl)phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976106
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364977
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
N-(2,4-dimethoxyphenyl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194272
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
6-methoxy-4-methyl-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491304
3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071186

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 46364976) is N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide is COc1ccc(OC)c(NC(=O)c2nc3ccccc3n(C)c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is KFVJKGZSXJOPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-21-14-7-5-4-6-12(14)19-16(18(21)23)17(22)20-13-10-11(24-2)8-9-15(13)25-3/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46364976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).