N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide

C18H17N3O2 — CID 46365020

IUPACN-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C18H17N3O2/c1-11-7-6-8-12(2)15(11)20-17(22)16-18(23)21(3)14-10-5-4-9-13(14)19-16/h4-10H,1-3H3,(H,20,22)
InChIKeyYZSYTYNYPIEQTO-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.80
Rot. Bonds2

About N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide

N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46365020) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46365020
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C18H17N3O2/c1-11-7-6-8-12(2)15(11)20-17(22)16-18(23)21(3)14-10-5-4-9-13(14)19-16/h4-10H,1-3H3,(H,20,22)
InChIKeyYZSYTYNYPIEQTO-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365046
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406
4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
CID 92877606
N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364976
N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365230
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
N-[2-(2-ethoxyphenyl)phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976106
2,4-dimethyl-3-[(4,6,7-trimethyl-3-oxoquinoxaline-2-carbonyl)amino]benzoic acid
CID 176885160
N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976122
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976116
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 118778692
N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 27929631

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 46365020) is N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide is Cc1cccc(C)c1NC(=O)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is YZSYTYNYPIEQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-7-6-8-12(2)15(11)20-17(22)16-18(23)21(3)14-10-5-4-9-13(14)19-16/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46365020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).