6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide

C17H13F2N3O2 — CID 23963431

IUPAC6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2cc(F)c(F)cc2nc1C
InChIInChI=1S/C17H13F2N3O2/c1-9-16(17(23)22-12-5-3-4-6-15(12)24-2)21-14-8-11(19)10(18)7-13(14)20-9/h3-8H,1-2H3,(H,22,23)
InChIKeyGEMLLJNGVLBMDW-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.48
Rot. Bonds3

About 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide

6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide (PubChem CID 23963431) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide
PubChem CID23963431
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2cc(F)c(F)cc2nc1C
InChIInChI=1S/C17H13F2N3O2/c1-9-16(17(23)22-12-5-3-4-6-15(12)24-2)21-14-8-11(19)10(18)7-13(14)20-9/h3-8H,1-2H3,(H,22,23)
InChIKeyGEMLLJNGVLBMDW-UHFFFAOYSA-N
XLogP3.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691757
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CID 1481276
N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650217
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275
N-(2-methoxyphenyl)-4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 66499445
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878
2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid
CID 27035862
6-[4-[1-(dimethylamino)ethenyl]phenyl]-N-(2-methoxyphenyl)-3-methylpyrazine-2-carboxamide
CID 160691090
2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483
1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057618
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide?
The IUPAC name of 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide (CID 23963431) is 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide.
What is the SMILES notation for 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide?
The canonical SMILES for 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide is COc1ccccc1NC(=O)c1nc2cc(F)c(F)cc2nc1C.
What is the InChIKey of 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide?
The InChIKey is GEMLLJNGVLBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-9-16(17(23)22-12-5-3-4-6-15(12)24-2)21-14-8-11(19)10(18)7-13(14)20-9/h3-8H,1-2H3,(H,22,23).
What are the key properties of 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide?
6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 23963431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).