N-benzylquinoxaline-2-carboxamide

C16H13N3O — CID 7536862

IUPACN-benzylquinoxaline-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C16H13N3O/c20-16(18-10-12-6-2-1-3-7-12)15-11-17-13-8-4-5-9-14(13)19-15/h1-9,11H,10H2,(H,18,20)
InChIKeyKKYVULXSLKOYID-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.56
Rot. Bonds3

About N-benzylquinoxaline-2-carboxamide

N-benzylquinoxaline-2-carboxamide (PubChem CID 7536862) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-benzylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-benzylquinoxaline-2-carboxamide
PubChem CID7536862
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-benzylquinoxaline-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C16H13N3O/c20-16(18-10-12-6-2-1-3-7-12)15-11-17-13-8-4-5-9-14(13)19-15/h1-9,11H,10H2,(H,18,20)
InChIKeyKKYVULXSLKOYID-UHFFFAOYSA-N
XLogP2.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzylquinoxaline-2-carboxamide?
The IUPAC name of N-benzylquinoxaline-2-carboxamide (CID 7536862) is N-benzylquinoxaline-2-carboxamide.
What is the SMILES notation for N-benzylquinoxaline-2-carboxamide?
The canonical SMILES for N-benzylquinoxaline-2-carboxamide is O=C(NCc1ccccc1)c1cnc2ccccc2n1.
What is the InChIKey of N-benzylquinoxaline-2-carboxamide?
The InChIKey is KKYVULXSLKOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(18-10-12-6-2-1-3-7-12)15-11-17-13-8-4-5-9-14(13)19-15/h1-9,11H,10H2,(H,18,20).
What are the key properties of N-benzylquinoxaline-2-carboxamide?
N-benzylquinoxaline-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylquinoxaline-2-carboxamide is sourced from PubChem (CID 7536862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).