N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide

C17H15N3O — CID 2738541

IUPACN-(3,4-dimethylphenyl)quinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccccc3n2)cc1C
InChIInChI=1S/C17H15N3O/c1-11-7-8-13(9-12(11)2)19-17(21)16-10-18-14-5-3-4-6-15(14)20-16/h3-10H,1-2H3,(H,19,21)
InChIKeyNKVROUVTKTWWAE-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.50
Rot. Bonds2

About N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide

N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide (PubChem CID 2738541) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)quinoxaline-2-carboxamide
PubChem CID2738541
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(3,4-dimethylphenyl)quinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccccc3n2)cc1C
InChIInChI=1S/C17H15N3O/c1-11-7-8-13(9-12(11)2)19-17(21)16-10-18-14-5-3-4-6-15(14)20-16/h3-10H,1-2H3,(H,19,21)
InChIKeyNKVROUVTKTWWAE-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide (CID 2738541) is N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide is Cc1ccc(NC(=O)c2cnc3ccccc3n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide?
The InChIKey is NKVROUVTKTWWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-7-8-13(9-12(11)2)19-17(21)16-10-18-14-5-3-4-6-15(14)20-16/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide?
N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 2738541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).