4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide

C23H18N4O3 — CID 2990029

IUPAC4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide
SMILESCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C23H18N4O3/c1-14-7-9-16(21-13-24-18-5-3-4-6-19(18)25-21)11-20(14)26-23(28)17-10-8-15(2)22(12-17)27(29)30/h3-13H,1-2H3,(H,26,28)
InChIKeyNKMKHSWLAWBIHD-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.07
Rot. Bonds4

About 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide

4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide (PubChem CID 2990029) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide
PubChem CID2990029
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide
SMILESCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C23H18N4O3/c1-14-7-9-16(21-13-24-18-5-3-4-6-19(18)25-21)11-20(14)26-23(28)17-10-8-15(2)22(12-17)27(29)30/h3-13H,1-2H3,(H,26,28)
InChIKeyNKMKHSWLAWBIHD-UHFFFAOYSA-N
XLogP5.07
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 2993039
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxy-3-nitrobenzamide
CID 1364307
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
N-(2-bromo-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 103819140
N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide
CID 30159469
(4-quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate
CID 2831660
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
CID 121055658
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-piperidin-1-ylbenzamide
CID 4680727
N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-methyl-3-nitrobenzamide
CID 4502272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide (CID 2990029) is 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide is Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide?
The InChIKey is NKMKHSWLAWBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-14-7-9-16(21-13-24-18-5-3-4-6-19(18)25-21)11-20(14)26-23(28)17-10-8-15(2)22(12-17)27(29)30/h3-13H,1-2H3,(H,26,28).
What are the key properties of 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide?
4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide has a molecular weight of 398.42 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 2990029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).