6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline

C16H14FNS — CID 164677045

IUPAC6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline
SMILESCC(C)c1cc2cc(F)ccc2nc1-c1cccs1
InChIInChI=1S/C16H14FNS/c1-10(2)13-9-11-8-12(17)5-6-14(11)18-16(13)15-4-3-7-19-15/h3-10H,1-2H3
InChIKeyBMVXJINCJXITEE-UHFFFAOYSA-N
MW271.36 g/mol
LogP5.23
Rot. Bonds2

About 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline

6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline (PubChem CID 164677045) has the molecular formula C16H14FNS and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline.

Molecular Properties

Compound Name6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline
PubChem CID164677045
Molecular FormulaC16H14FNS
Molecular Weight271.36 g/mol
Exact Mass271.08
IUPAC Name6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline
SMILESCC(C)c1cc2cc(F)ccc2nc1-c1cccs1
InChIInChI=1S/C16H14FNS/c1-10(2)13-9-11-8-12(17)5-6-14(11)18-16(13)15-4-3-7-19-15/h3-10H,1-2H3
InChIKeyBMVXJINCJXITEE-UHFFFAOYSA-N
XLogP5.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Thienyl)quinoline
CID 251365
3-(3-Thienyl)quinoline
CID 10242258
4-(4-Methyl-1-piperazinyl)-2-(2-thienyl)quinoline
CID 453076
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole
CID 10495787
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(thiophen-2-yl)quinoline
CID 25156480
1,2-Ethanediamine, N,N-dimethyl-N'-(2-(2-thienyl)-4-quinolinyl)-
CID 453074
6,7-Difluoro-3-thiophen-3-yl-quinoline
CID 10106010
6-[2-(2-Methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline
CID 56673158
4-Methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline
CID 1472948

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline?
The IUPAC name of 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline (CID 164677045) is 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline.
What is the SMILES notation for 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline?
The canonical SMILES for 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline is CC(C)c1cc2cc(F)ccc2nc1-c1cccs1.
What is the InChIKey of 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline?
The InChIKey is BMVXJINCJXITEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNS/c1-10(2)13-9-11-8-12(17)5-6-14(11)18-16(13)15-4-3-7-19-15/h3-10H,1-2H3.
What are the key properties of 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline?
6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline has a molecular weight of 271.36 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-propan-2-yl-2-thiophen-2-ylquinoline is sourced from PubChem (CID 164677045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).