9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol

C22H19FN2O2S — CID 131743028

IUPAC9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESOc1ccc2ncc3sccc3c2c1-c1ccc(CN2CCC(O)C2)c(F)c1
InChIInChI=1S/C22H19FN2O2S/c23-17-9-13(1-2-14(17)11-25-7-5-15(26)12-25)21-19(27)4-3-18-22(21)16-6-8-28-20(16)10-24-18/h1-4,6,8-10,15,26-27H,5,7,11-12H2
InChIKeyXWUPTEPGBUIHTP-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.53
Rot. Bonds3

About 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol

9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 131743028) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID131743028
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESOc1ccc2ncc3sccc3c2c1-c1ccc(CN2CCC(O)C2)c(F)c1
InChIInChI=1S/C22H19FN2O2S/c23-17-9-13(1-2-14(17)11-25-7-5-15(26)12-25)21-19(27)4-3-18-22(21)16-6-8-28-20(16)10-24-18/h1-4,6,8-10,15,26-27H,5,7,11-12H2
InChIKeyXWUPTEPGBUIHTP-UHFFFAOYSA-N
XLogP4.53
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol (CID 131743028) is 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol is Oc1ccc2ncc3sccc3c2c1-c1ccc(CN2CCC(O)C2)c(F)c1.
What is the InChIKey of 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is XWUPTEPGBUIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-17-9-13(1-2-14(17)11-25-7-5-15(26)12-25)21-19(27)4-3-18-22(21)16-6-8-28-20(16)10-24-18/h1-4,6,8-10,15,26-27H,5,7,11-12H2.
What are the key properties of 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol?
9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 394.47 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 131743028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).