9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol

C21H19FN2OS — CID 141424247

IUPAC9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESCC(C)(CN)c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C21H19FN2OS/c1-21(2,11-23)14-4-3-12(9-15(14)22)19-17(25)6-5-16-20(19)13-7-8-26-18(13)10-24-16/h3-10,25H,11,23H2,1-2H3
InChIKeyGXWKZDYMXTWREL-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.20
Rot. Bonds3

About 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol

9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424247) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424247
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC Name9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESCC(C)(CN)c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C21H19FN2OS/c1-21(2,11-23)14-4-3-12(9-15(14)22)19-17(25)6-5-16-20(19)13-7-8-26-18(13)10-24-16/h3-10,25H,11,23H2,1-2H3
InChIKeyGXWKZDYMXTWREL-UHFFFAOYSA-N
XLogP5.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol (CID 141424247) is 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol is CC(C)(CN)c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F.
What is the InChIKey of 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is GXWKZDYMXTWREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c1-21(2,11-23)14-4-3-12(9-15(14)22)19-17(25)6-5-16-20(19)13-7-8-26-18(13)10-24-16/h3-10,25H,11,23H2,1-2H3.
What are the key properties of 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 366.46 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).