N-(4-methylphenyl)quinoxaline-2-carboxamide

C16H13N3O — CID 7064574

IUPACN-(4-methylphenyl)quinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,20)
InChIKeyQFBDAQGHWLXDQJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.19
Rot. Bonds2

About N-(4-methylphenyl)quinoxaline-2-carboxamide

N-(4-methylphenyl)quinoxaline-2-carboxamide (PubChem CID 7064574) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(4-methylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)quinoxaline-2-carboxamide
PubChem CID7064574
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-(4-methylphenyl)quinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,20)
InChIKeyQFBDAQGHWLXDQJ-UHFFFAOYSA-N
XLogP3.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)quinoxaline-2-carboxamide (CID 7064574) is N-(4-methylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)quinoxaline-2-carboxamide is Cc1ccc(NC(=O)c2cnc3ccccc3n2)cc1.
What is the InChIKey of N-(4-methylphenyl)quinoxaline-2-carboxamide?
The InChIKey is QFBDAQGHWLXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,20).
What are the key properties of N-(4-methylphenyl)quinoxaline-2-carboxamide?
N-(4-methylphenyl)quinoxaline-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 7064574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).