3-(3-fluorophenyl)-6-thiophen-3-ylquinoline

C19H12FNS — CID 18788569

IUPAC3-(3-fluorophenyl)-6-thiophen-3-ylquinoline
SMILESFc1cccc(-c2cnc3ccc(-c4ccsc4)cc3c2)c1
InChIInChI=1S/C19H12FNS/c20-18-3-1-2-13(10-18)17-9-16-8-14(15-6-7-22-12-15)4-5-19(16)21-11-17/h1-12H
InChIKeyIVJQLTNXPCJMBJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.77
Rot. Bonds2

About 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline

3-(3-fluorophenyl)-6-thiophen-3-ylquinoline (PubChem CID 18788569) has the molecular formula C19H12FNS and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-thiophen-3-ylquinoline
PubChem CID18788569
Molecular FormulaC19H12FNS
Molecular Weight305.38 g/mol
Exact Mass305.07
IUPAC Name3-(3-fluorophenyl)-6-thiophen-3-ylquinoline
SMILESFc1cccc(-c2cnc3ccc(-c4ccsc4)cc3c2)c1
InChIInChI=1S/C19H12FNS/c20-18-3-1-2-13(10-18)17-9-16-8-14(15-6-7-22-12-15)4-5-19(16)21-11-17/h1-12H
InChIKeyIVJQLTNXPCJMBJ-UHFFFAOYSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline?
The IUPAC name of 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline (CID 18788569) is 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline.
What is the SMILES notation for 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline?
The canonical SMILES for 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline is Fc1cccc(-c2cnc3ccc(-c4ccsc4)cc3c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline?
The InChIKey is IVJQLTNXPCJMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNS/c20-18-3-1-2-13(10-18)17-9-16-8-14(15-6-7-22-12-15)4-5-19(16)21-11-17/h1-12H.
What are the key properties of 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline?
3-(3-fluorophenyl)-6-thiophen-3-ylquinoline has a molecular weight of 305.38 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-thiophen-3-ylquinoline is sourced from PubChem (CID 18788569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).