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

C26H25N3O — CID 43853055

IUPACN-pentyl-2,3-diphenylquinoxaline-6-carboxamide
SMILESCCCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C26H25N3O/c1-2-3-10-17-27-26(30)21-15-16-22-23(18-21)29-25(20-13-8-5-9-14-20)24(28-22)19-11-6-4-7-12-19/h4-9,11-16,18H,2-3,10,17H2,1H3,(H,27,30)
InChIKeyFFIFMGYLBIHBBW-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.88
Rot. Bonds7

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

N-pentyl-2,3-diphenylquinoxaline-6-carboxamide (PubChem CID 43853055) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-pentyl-2,3-diphenylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-pentyl-2,3-diphenylquinoxaline-6-carboxamide
PubChem CID43853055
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-pentyl-2,3-diphenylquinoxaline-6-carboxamide
SMILESCCCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C26H25N3O/c1-2-3-10-17-27-26(30)21-15-16-22-23(18-21)29-25(20-13-8-5-9-14-20)24(28-22)19-11-6-4-7-12-19/h4-9,11-16,18H,2-3,10,17H2,1H3,(H,27,30)
InChIKeyFFIFMGYLBIHBBW-UHFFFAOYSA-N
XLogP5.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
N-butyl-4-phenylbenzamide
CID 3637649
N-pentylnaphthalene-2-carboxamide
CID 91722098
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-octylquinoline-6-carboxamide
CID 68863650
N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-3-phenyl-2-(3-sulfanylphenyl)quinoxaline-6-carboxamide
CID 144949051
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2,3-diphenylquinoxaline-6-carboxamide?
The IUPAC name of N-pentyl-2,3-diphenylquinoxaline-6-carboxamide (CID 43853055) is N-pentyl-2,3-diphenylquinoxaline-6-carboxamide.
What is the SMILES notation for N-pentyl-2,3-diphenylquinoxaline-6-carboxamide?
The canonical SMILES for N-pentyl-2,3-diphenylquinoxaline-6-carboxamide is CCCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of N-pentyl-2,3-diphenylquinoxaline-6-carboxamide?
The InChIKey is FFIFMGYLBIHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-2-3-10-17-27-26(30)21-15-16-22-23(18-21)29-25(20-13-8-5-9-14-20)24(28-22)19-11-6-4-7-12-19/h4-9,11-16,18H,2-3,10,17H2,1H3,(H,27,30).
What are the key properties of N-pentyl-2,3-diphenylquinoxaline-6-carboxamide?
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2,3-diphenylquinoxaline-6-carboxamide is sourced from PubChem (CID 43853055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).