3-phenyl-2-thiophen-3-ylquinoline

C19H13NS — CID 164677257

IUPAC3-phenyl-2-thiophen-3-ylquinoline
SMILESc1ccc(-c2cc3ccccc3nc2-c2ccsc2)cc1
InChIInChI=1S/C19H13NS/c1-2-6-14(7-3-1)17-12-15-8-4-5-9-18(15)20-19(17)16-10-11-21-13-16/h1-13H
InChIKeyPBFHCTWYDNRVGN-UHFFFAOYSA-N
MW287.39 g/mol
LogP5.63
Rot. Bonds2

About 3-phenyl-2-thiophen-3-ylquinoline

3-phenyl-2-thiophen-3-ylquinoline (PubChem CID 164677257) has the molecular formula C19H13NS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-phenyl-2-thiophen-3-ylquinoline.

Molecular Properties

Compound Name3-phenyl-2-thiophen-3-ylquinoline
PubChem CID164677257
Molecular FormulaC19H13NS
Molecular Weight287.39 g/mol
Exact Mass287.08
IUPAC Name3-phenyl-2-thiophen-3-ylquinoline
SMILESc1ccc(-c2cc3ccccc3nc2-c2ccsc2)cc1
InChIInChI=1S/C19H13NS/c1-2-6-14(7-3-1)17-12-15-8-4-5-9-18(15)20-19(17)16-10-11-21-13-16/h1-13H
InChIKeyPBFHCTWYDNRVGN-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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-thiophen-3-ylquinoline?
The IUPAC name of 3-phenyl-2-thiophen-3-ylquinoline (CID 164677257) is 3-phenyl-2-thiophen-3-ylquinoline.
What is the SMILES notation for 3-phenyl-2-thiophen-3-ylquinoline?
The canonical SMILES for 3-phenyl-2-thiophen-3-ylquinoline is c1ccc(-c2cc3ccccc3nc2-c2ccsc2)cc1.
What is the InChIKey of 3-phenyl-2-thiophen-3-ylquinoline?
The InChIKey is PBFHCTWYDNRVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NS/c1-2-6-14(7-3-1)17-12-15-8-4-5-9-18(15)20-19(17)16-10-11-21-13-16/h1-13H.
What are the key properties of 3-phenyl-2-thiophen-3-ylquinoline?
3-phenyl-2-thiophen-3-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 3-phenyl-2-thiophen-3-ylquinoline is sourced from PubChem (CID 164677257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).