4-phenyl-2-thiophen-2-ylquinoline

C19H13NS — CID 8966250

IUPAC4-phenyl-2-thiophen-2-ylquinoline
SMILESc1ccc(-c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C19H13NS/c1-2-7-14(8-3-1)16-13-18(19-11-6-12-21-19)20-17-10-5-4-9-15(16)17/h1-13H
InChIKeyXEYYMUZJXGZSSC-UHFFFAOYSA-N
MW287.39 g/mol
LogP5.63
Rot. Bonds2

About 4-phenyl-2-thiophen-2-ylquinoline

4-phenyl-2-thiophen-2-ylquinoline (PubChem CID 8966250) has the molecular formula C19H13NS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-phenyl-2-thiophen-2-ylquinoline.

Molecular Properties

Compound Name4-phenyl-2-thiophen-2-ylquinoline
PubChem CID8966250
Molecular FormulaC19H13NS
Molecular Weight287.39 g/mol
Exact Mass287.08
IUPAC Name4-phenyl-2-thiophen-2-ylquinoline
SMILESc1ccc(-c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C19H13NS/c1-2-7-14(8-3-1)16-13-18(19-11-6-12-21-19)20-17-10-5-4-9-15(16)17/h1-13H
InChIKeyXEYYMUZJXGZSSC-UHFFFAOYSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole
CID 2526582
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
CID 15099821
CID 71229617
CID 71229617
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
hypochlorous acid;thiopyrano[2,3-b]indole
CID 159392688
2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole
CID 132573446

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-thiophen-2-ylquinoline?
The IUPAC name of 4-phenyl-2-thiophen-2-ylquinoline (CID 8966250) is 4-phenyl-2-thiophen-2-ylquinoline.
What is the SMILES notation for 4-phenyl-2-thiophen-2-ylquinoline?
The canonical SMILES for 4-phenyl-2-thiophen-2-ylquinoline is c1ccc(-c2cc(-c3cccs3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-thiophen-2-ylquinoline?
The InChIKey is XEYYMUZJXGZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NS/c1-2-7-14(8-3-1)16-13-18(19-11-6-12-21-19)20-17-10-5-4-9-15(16)17/h1-13H.
What are the key properties of 4-phenyl-2-thiophen-2-ylquinoline?
4-phenyl-2-thiophen-2-ylquinoline has a molecular weight of 287.39 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-thiophen-2-ylquinoline is sourced from PubChem (CID 8966250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).