N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide

C21H17N4O+ — CID 162403612

IUPACN-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide
SMILESNc1ccccc1NC(=O)c1nc2ccccc2[nH+]c1-c1ccccc1
InChIInChI=1S/C21H16N4O/c22-15-10-4-5-11-16(15)25-21(26)20-19(14-8-2-1-3-9-14)23-17-12-6-7-13-18(17)24-20/h1-13H,22H2,(H,25,26)/p+1
InChIKeyORDLROXKBAJETA-UHFFFAOYSA-O
MW341.39 g/mol
LogP3.55
Rot. Bonds3

About N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide

N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide (PubChem CID 162403612) has the molecular formula C21H17N4O+ and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide
PubChem CID162403612
Molecular FormulaC21H17N4O+
Molecular Weight341.39 g/mol
Exact Mass341.14
IUPAC NameN-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide
SMILESNc1ccccc1NC(=O)c1nc2ccccc2[nH+]c1-c1ccccc1
InChIInChI=1S/C21H16N4O/c22-15-10-4-5-11-16(15)25-21(26)20-19(14-8-2-1-3-9-14)23-17-12-6-7-13-18(17)24-20/h1-13H,22H2,(H,25,26)/p+1
InChIKeyORDLROXKBAJETA-UHFFFAOYSA-O
XLogP3.55
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-(1,2,3-trihydroxypropyl)quinoxaline-2-carboxamide
CID 3718203
N-(2-aminophenyl)furo[3,2-b]quinoxaline-3-carboxamide
CID 13169436
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650217
N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide
CID 90732730
2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid
CID 27035862
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide
CID 43600055
3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide
CID 104740834

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide (CID 162403612) is N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide is Nc1ccccc1NC(=O)c1nc2ccccc2[nH+]c1-c1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide?
The InChIKey is ORDLROXKBAJETA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H16N4O/c22-15-10-4-5-11-16(15)25-21(26)20-19(14-8-2-1-3-9-14)23-17-12-6-7-13-18(17)24-20/h1-13H,22H2,(H,25,26)/p+1.
What are the key properties of N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide?
N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-phenylquinoxalin-4-ium-2-carboxamide is sourced from PubChem (CID 162403612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).