5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine

C18H14N4S — CID 154230591

IUPAC5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine
SMILESNc1ccc(-c2cccc3nc(N)c(-c4cccs4)nc23)cc1
InChIInChI=1S/C18H14N4S/c19-12-8-6-11(7-9-12)13-3-1-4-14-16(13)22-17(18(20)21-14)15-5-2-10-23-15/h1-10H,19H2,(H2,20,21)
InChIKeyQBXKQLAIFOSJQU-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.19
Rot. Bonds2

About 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine

5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine (PubChem CID 154230591) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine
PubChem CID154230591
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine
SMILESNc1ccc(-c2cccc3nc(N)c(-c4cccs4)nc23)cc1
InChIInChI=1S/C18H14N4S/c19-12-8-6-11(7-9-12)13-3-1-4-14-16(13)22-17(18(20)21-14)15-5-2-10-23-15/h1-10H,19H2,(H2,20,21)
InChIKeyQBXKQLAIFOSJQU-UHFFFAOYSA-N
XLogP4.19
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(5,6-Dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 52918390
7-(5,6-Dimethyl-2-thiophen-3-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 67607902
6-(Thiophen-3-Yl)quinolin-2-Amine
CID 53346492
3-(2-Thienyl)-2-quinolinamine
CID 1480775
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-N'-(thien-2-ylmethyl)thiourea
CID 16193160
7-(5-Methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 67889369
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N'-(thien-2-ylmethyl)thiourea
CID 16193018
(1S,3S)-N1-(4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 44442064
3-benzyl-N-[(E)-1-thiophen-2-ylethylideneamino]quinoxalin-2-amine
CID 52944550
3-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoxalin-2-amine
CID 52947522
N-(4-methylphenyl)-2-[(E)-2-phenylethenyl]-7-thiophen-2-ylquinazolin-4-amine
CID 162674964
2,3-Di-thiophen-2-yl-benzo[g]quinoxaline
CID 9950039

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine?
The IUPAC name of 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine (CID 154230591) is 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine is Nc1ccc(-c2cccc3nc(N)c(-c4cccs4)nc23)cc1.
What is the InChIKey of 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine?
The InChIKey is QBXKQLAIFOSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c19-12-8-6-11(7-9-12)13-3-1-4-14-16(13)22-17(18(20)21-14)15-5-2-10-23-15/h1-10H,19H2,(H2,20,21).
What are the key properties of 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine?
5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine has a molecular weight of 318.41 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine is sourced from PubChem (CID 154230591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).