N-phenylbenzo[g]quinoxalin-3-amine

C18H13N3 — CID 5273861

IUPACN-phenylbenzo[g]quinoxalin-3-amine
SMILESc1ccc(Nc2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C18H13N3/c1-2-8-15(9-3-1)20-18-12-19-16-10-13-6-4-5-7-14(13)11-17(16)21-18/h1-12H,(H,20,21)
InChIKeyOHEABGYKHCYGPS-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.53
Rot. Bonds2

About N-phenylbenzo[g]quinoxalin-3-amine

N-phenylbenzo[g]quinoxalin-3-amine (PubChem CID 5273861) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-phenylbenzo[g]quinoxalin-3-amine.

Molecular Properties

Compound NameN-phenylbenzo[g]quinoxalin-3-amine
PubChem CID5273861
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC NameN-phenylbenzo[g]quinoxalin-3-amine
SMILESc1ccc(Nc2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C18H13N3/c1-2-8-15(9-3-1)20-18-12-19-16-10-13-6-4-5-7-14(13)11-17(16)21-18/h1-12H,(H,20,21)
InChIKeyOHEABGYKHCYGPS-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)benzo[g]quinoxalin-3-amine
CID 70165769
N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine
CID 70166415
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine
CID 108777589
N-naphthalen-2-ylpyrido[2,3-b]pyrazin-3-amine
CID 141174861
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 59113307
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinoxalin-2-amine
CID 163970100
6-methyl-7-nitro-N-phenylpyrido[2,3-b]pyrazin-3-amine
CID 137368065
N-quinolin-3-ylpyrido[2,3-b]pyrazin-3-amine
CID 141174905
4-methyl-N-phenylquinolin-2-amine
CID 616278
2-N-phenylpyrazine-2,5-diamine
CID 80652109
2-methyl-4-(quinoxalin-2-ylamino)benzoic acid
CID 62360974

Frequently Asked Questions

What is the IUPAC name of N-phenylbenzo[g]quinoxalin-3-amine?
The IUPAC name of N-phenylbenzo[g]quinoxalin-3-amine (CID 5273861) is N-phenylbenzo[g]quinoxalin-3-amine.
What is the SMILES notation for N-phenylbenzo[g]quinoxalin-3-amine?
The canonical SMILES for N-phenylbenzo[g]quinoxalin-3-amine is c1ccc(Nc2cnc3cc4ccccc4cc3n2)cc1.
What is the InChIKey of N-phenylbenzo[g]quinoxalin-3-amine?
The InChIKey is OHEABGYKHCYGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-8-15(9-3-1)20-18-12-19-16-10-13-6-4-5-7-14(13)11-17(16)21-18/h1-12H,(H,20,21).
What are the key properties of N-phenylbenzo[g]quinoxalin-3-amine?
N-phenylbenzo[g]quinoxalin-3-amine has a molecular weight of 271.32 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbenzo[g]quinoxalin-3-amine is sourced from PubChem (CID 5273861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).