2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide

C26H18N4O — CID 1034247

IUPAC2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C26H18N4O/c31-26(28-21-12-7-15-27-17-21)20-13-14-22-23(16-20)30-25(19-10-5-2-6-11-19)24(29-22)18-8-3-1-4-9-18/h1-17H,(H,28,31)
InChIKeyATSLAIXJFQIJLO-UHFFFAOYSA-N
MW402.46 g/mol
LogP5.61
Rot. Bonds4

About 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide

2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide (PubChem CID 1034247) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide
PubChem CID1034247
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C26H18N4O/c31-26(28-21-12-7-15-27-17-21)20-13-14-22-23(16-20)30-25(19-10-5-2-6-11-19)24(29-22)18-8-3-1-4-9-18/h1-17H,(H,28,31)
InChIKeyATSLAIXJFQIJLO-UHFFFAOYSA-N
XLogP5.61
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide?
The IUPAC name of 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide (CID 1034247) is 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide?
The canonical SMILES for 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide is O=C(Nc1cccnc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide?
The InChIKey is ATSLAIXJFQIJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c31-26(28-21-12-7-15-27-17-21)20-13-14-22-23(16-20)30-25(19-10-5-2-6-11-19)24(29-22)18-8-3-1-4-9-18/h1-17H,(H,28,31).
What are the key properties of 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide?
2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-N-pyridin-3-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 1034247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).