N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide

C16H12N4O3 — CID 17420585

IUPACN-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide
SMILESCc1c(NC(=O)c2cnc3ccccc3n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O3/c1-10-11(7-4-8-15(10)20(22)23)19-16(21)14-9-17-12-5-2-3-6-13(12)18-14/h2-9H,1H3,(H,19,21)
InChIKeyMTEWVIUICRQSQX-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.10
Rot. Bonds3

About N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide

N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide (PubChem CID 17420585) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide
PubChem CID17420585
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide
SMILESCc1c(NC(=O)c2cnc3ccccc3n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O3/c1-10-11(7-4-8-15(10)20(22)23)19-16(21)14-9-17-12-5-2-3-6-13(12)18-14/h2-9H,1H3,(H,19,21)
InChIKeyMTEWVIUICRQSQX-UHFFFAOYSA-N
XLogP3.10
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.10
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-[3-(dimethylcarbamoyl)-2-methylphenyl]quinoxaline-2-carboxamide
CID 131923245
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-(2-bromophenyl)quinoxaline-2-carboxamide
CID 17429565
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
N-(2-methyl-5-methylsulfonylphenyl)quinoxaline-2-carboxamide
CID 27990943
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
2-[(2-methyl-3-nitrophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 107811028
2-(1-aminoethyl)-N-(2-methyl-3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66390801
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide (CID 17420585) is N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide is Cc1c(NC(=O)c2cnc3ccccc3n2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide?
The InChIKey is MTEWVIUICRQSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-10-11(7-4-8-15(10)20(22)23)19-16(21)14-9-17-12-5-2-3-6-13(12)18-14/h2-9H,1H3,(H,19,21).
What are the key properties of N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide?
N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 17420585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).