1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide

C19H19N3O3 — CID 6625310

IUPAC1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C19H19N3O3/c1-12-4-6-13(7-5-12)11-20-17(23)14-8-9-15-16(10-14)22(3)19(25)18(24)21(15)2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyVUYWIYNGQFONPB-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.48
Rot. Bonds3

About 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide

1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide (PubChem CID 6625310) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
PubChem CID6625310
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C19H19N3O3/c1-12-4-6-13(7-5-12)11-20-17(23)14-8-9-15-16(10-14)22(3)19(25)18(24)21(15)2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyVUYWIYNGQFONPB-UHFFFAOYSA-N
XLogP1.48
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 52986160
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 72937054
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
CID 90651448
N-[(4-ethylphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815654
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 16790226
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954
N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 27259757
4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide (CID 6625310) is 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide?
The InChIKey is VUYWIYNGQFONPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-4-6-13(7-5-12)11-20-17(23)14-8-9-15-16(10-14)22(3)19(25)18(24)21(15)2/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide?
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide is sourced from PubChem (CID 6625310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).