N-methyl-2,3-diphenylquinoxaline-6-carboxamide

C22H17N3O — CID 5261755

IUPACN-methyl-2,3-diphenylquinoxaline-6-carboxamide
SMILESCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C22H17N3O/c1-23-22(26)17-12-13-18-19(14-17)25-21(16-10-6-3-7-11-16)20(24-18)15-8-4-2-5-9-15/h2-14H,1H3,(H,23,26)
InChIKeyYVLFXZBCRFOYJA-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.32
Rot. Bonds3

About N-methyl-2,3-diphenylquinoxaline-6-carboxamide

N-methyl-2,3-diphenylquinoxaline-6-carboxamide (PubChem CID 5261755) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-methyl-2,3-diphenylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-2,3-diphenylquinoxaline-6-carboxamide
PubChem CID5261755
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC NameN-methyl-2,3-diphenylquinoxaline-6-carboxamide
SMILESCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C22H17N3O/c1-23-22(26)17-12-13-18-19(14-17)25-21(16-10-6-3-7-11-16)20(24-18)15-8-4-2-5-9-15/h2-14H,1H3,(H,23,26)
InChIKeyYVLFXZBCRFOYJA-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3-diphenylquinoxaline-6-carboxamide?
The IUPAC name of N-methyl-2,3-diphenylquinoxaline-6-carboxamide (CID 5261755) is N-methyl-2,3-diphenylquinoxaline-6-carboxamide.
What is the SMILES notation for N-methyl-2,3-diphenylquinoxaline-6-carboxamide?
The canonical SMILES for N-methyl-2,3-diphenylquinoxaline-6-carboxamide is CNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of N-methyl-2,3-diphenylquinoxaline-6-carboxamide?
The InChIKey is YVLFXZBCRFOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-23-22(26)17-12-13-18-19(14-17)25-21(16-10-6-3-7-11-16)20(24-18)15-8-4-2-5-9-15/h2-14H,1H3,(H,23,26).
What are the key properties of N-methyl-2,3-diphenylquinoxaline-6-carboxamide?
N-methyl-2,3-diphenylquinoxaline-6-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3-diphenylquinoxaline-6-carboxamide is sourced from PubChem (CID 5261755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).