5-thiophen-2-ylbenzo[f]quinoline

C17H11NS — CID 132529339

IUPAC5-thiophen-2-ylbenzo[f]quinoline
SMILESc1csc(-c2cc3ccccc3c3cccnc23)c1
InChIInChI=1S/C17H11NS/c1-2-6-13-12(5-1)11-15(16-8-4-10-19-16)17-14(13)7-3-9-18-17/h1-11H
InChIKeyDTRKWXFGIDGLRN-UHFFFAOYSA-N
MW261.35 g/mol
LogP5.12
Rot. Bonds1

About 5-thiophen-2-ylbenzo[f]quinoline

5-thiophen-2-ylbenzo[f]quinoline (PubChem CID 132529339) has the molecular formula C17H11NS and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-thiophen-2-ylbenzo[f]quinoline.

Molecular Properties

Compound Name5-thiophen-2-ylbenzo[f]quinoline
PubChem CID132529339
Molecular FormulaC17H11NS
Molecular Weight261.35 g/mol
Exact Mass261.06
IUPAC Name5-thiophen-2-ylbenzo[f]quinoline
SMILESc1csc(-c2cc3ccccc3c3cccnc23)c1
InChIInChI=1S/C17H11NS/c1-2-6-13-12(5-1)11-15(16-8-4-10-19-16)17-14(13)7-3-9-18-17/h1-11H
InChIKeyDTRKWXFGIDGLRN-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylbenzo[f]quinoline?
The IUPAC name of 5-thiophen-2-ylbenzo[f]quinoline (CID 132529339) is 5-thiophen-2-ylbenzo[f]quinoline.
What is the SMILES notation for 5-thiophen-2-ylbenzo[f]quinoline?
The canonical SMILES for 5-thiophen-2-ylbenzo[f]quinoline is c1csc(-c2cc3ccccc3c3cccnc23)c1.
What is the InChIKey of 5-thiophen-2-ylbenzo[f]quinoline?
The InChIKey is DTRKWXFGIDGLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS/c1-2-6-13-12(5-1)11-15(16-8-4-10-19-16)17-14(13)7-3-9-18-17/h1-11H.
What are the key properties of 5-thiophen-2-ylbenzo[f]quinoline?
5-thiophen-2-ylbenzo[f]quinoline has a molecular weight of 261.35 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylbenzo[f]quinoline is sourced from PubChem (CID 132529339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).