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

C23H21FN2O2S — CID 141424180

IUPAC1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc2ncc3sccc3c2c1-c1ccc(CN2CCC(O)C2)c(F)c1
InChIInChI=1S/C23H21FN2O2S/c1-28-20-5-4-19-23(17-7-9-29-21(17)11-25-19)22(20)14-2-3-15(18(24)10-14)12-26-8-6-16(27)13-26/h2-5,7,9-11,16,27H,6,8,12-13H2,1H3
InChIKeyLCJDYSJPIOVWLA-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.83
Rot. Bonds4

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

1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 141424180) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID141424180
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC Name1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc2ncc3sccc3c2c1-c1ccc(CN2CCC(O)C2)c(F)c1
InChIInChI=1S/C23H21FN2O2S/c1-28-20-5-4-19-23(17-7-9-29-21(17)11-25-19)22(20)14-2-3-15(18(24)10-14)12-26-8-6-16(27)13-26/h2-5,7,9-11,16,27H,6,8,12-13H2,1H3
InChIKeyLCJDYSJPIOVWLA-UHFFFAOYSA-N
XLogP4.83
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-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 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol (CID 141424180) is 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol is COc1ccc2ncc3sccc3c2c1-c1ccc(CN2CCC(O)C2)c(F)c1.
What is the InChIKey of 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is LCJDYSJPIOVWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-28-20-5-4-19-23(17-7-9-29-21(17)11-25-19)22(20)14-2-3-15(18(24)10-14)12-26-8-6-16(27)13-26/h2-5,7,9-11,16,27H,6,8,12-13H2,1H3.
What are the key properties of 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol?
1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 408.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 141424180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).