2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine

C15H11N3O2S — CID 44537324

IUPAC2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine
SMILESNc1cc(C=Cc2ccc([N+](=O)[O-])s2)nc2ccccc12
InChIInChI=1S/C15H11N3O2S/c16-13-9-10(17-14-4-2-1-3-12(13)14)5-6-11-7-8-15(21-11)18(19)20/h1-9H,(H2,16,17)
InChIKeyWWKUJMAYPBERME-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.96
Rot. Bonds3

About 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine

2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine (PubChem CID 44537324) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine
PubChem CID44537324
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine
SMILESNc1cc(C=Cc2ccc([N+](=O)[O-])s2)nc2ccccc12
InChIInChI=1S/C15H11N3O2S/c16-13-9-10(17-14-4-2-1-3-12(13)14)5-6-11-7-8-15(21-11)18(19)20/h1-9H,(H2,16,17)
InChIKeyWWKUJMAYPBERME-UHFFFAOYSA-N
XLogP3.96
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-Thienyl)quinoline
CID 251365
2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline
CID 6178517
2-(4-Nitrophenyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 671377
2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline
CID 6056275
2-(5-Thiophen-2-ylthiophen-2-yl)quinolin-4-amine
CID 44523429
4-Quinolinamine, 2-(2-thienyl)-
CID 453080
2-(1-Thiophen-2-ylethenyl)quinoline
CID 53315781
9-[(4-Nitrophenyl)methylsulfanyl]acridin-3-amine
CID 371147
2-[(E)-2-thiophen-2-ylethenyl]quinoline
CID 6011786
2-(3-Nitrophenyl)-6-phenyl-4-thiophen-2-ylpyridine
CID 304792
1-Thiophen-2-yl-1,2,3,4-tetrahydro-acridin-9-ylamine
CID 44326826
9-(4-Nitrophenyl)sulfanylacridin-3-amine
CID 488715

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine?
The IUPAC name of 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine (CID 44537324) is 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine.
What is the SMILES notation for 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine?
The canonical SMILES for 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine is Nc1cc(C=Cc2ccc([N+](=O)[O-])s2)nc2ccccc12.
What is the InChIKey of 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine?
The InChIKey is WWKUJMAYPBERME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-13-9-10(17-14-4-2-1-3-12(13)14)5-6-11-7-8-15(21-11)18(19)20/h1-9H,(H2,16,17).
What are the key properties of 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine?
2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine has a molecular weight of 297.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-nitrothiophen-2-yl)ethenyl]quinolin-4-amine is sourced from PubChem (CID 44537324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).