N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide

C17H15N3O — CID 17418457

IUPACN-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-12-6-2-3-7-13(12)10-19-17(21)16-11-18-14-8-4-5-9-15(14)20-16/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyUWILAWWHUSTPKU-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.87
Rot. Bonds3

About N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide

N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide (PubChem CID 17418457) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
PubChem CID17418457
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-12-6-2-3-7-13(12)10-19-17(21)16-11-18-14-8-4-5-9-15(14)20-16/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyUWILAWWHUSTPKU-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 55718070
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 121177637
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 110850751
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide (CID 17418457) is N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide is Cc1ccccc1CNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide?
The InChIKey is UWILAWWHUSTPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-2-3-7-13(12)10-19-17(21)16-11-18-14-8-4-5-9-15(14)20-16/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide?
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 17418457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).