9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol

C20H17FN2OS — CID 141424066

IUPAC9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCNCCc1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C20H17FN2OS/c1-22-8-6-12-2-3-13(10-15(12)21)19-17(24)5-4-16-20(19)14-7-9-25-18(14)11-23-16/h2-5,7,9-11,22,24H,6,8H2,1H3
InChIKeyZNCXVJCIBPQLDF-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.72
Rot. Bonds4

About 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol

9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424066) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424066
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCNCCc1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C20H17FN2OS/c1-22-8-6-12-2-3-13(10-15(12)21)19-17(24)5-4-16-20(19)14-7-9-25-18(14)11-23-16/h2-5,7,9-11,22,24H,6,8H2,1H3
InChIKeyZNCXVJCIBPQLDF-UHFFFAOYSA-N
XLogP4.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol (CID 141424066) is 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol is CNCCc1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F.
What is the InChIKey of 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is ZNCXVJCIBPQLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-22-8-6-12-2-3-13(10-15(12)21)19-17(24)5-4-16-20(19)14-7-9-25-18(14)11-23-16/h2-5,7,9-11,22,24H,6,8H2,1H3.
What are the key properties of 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 352.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).