[3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone

C22H17FN2O2S — CID 4182485

IUPAC[3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3
InChIInChI=1S/C22H17FN2O2S/c23-13-9-7-12(8-10-13)20(26)21-19(24)18-17(16-6-3-11-27-16)14-4-1-2-5-15(14)25-22(18)28-21/h3,6-11H,1-2,4-5,24H2
InChIKeyNZSAOIXYZOCCHI-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.39
Rot. Bonds3

About [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone

[3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone (PubChem CID 4182485) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone
PubChem CID4182485
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name[3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3
InChIInChI=1S/C22H17FN2O2S/c23-13-9-7-12(8-10-13)20(26)21-19(24)18-17(16-6-3-11-27-16)14-4-1-2-5-15(14)25-22(18)28-21/h3,6-11H,1-2,4-5,24H2
InChIKeyNZSAOIXYZOCCHI-UHFFFAOYSA-N
XLogP5.39
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone 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 [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone (CID 4182485) is [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone is Nc1c(C(=O)c2ccc(F)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3.
What is the InChIKey of [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is NZSAOIXYZOCCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c23-13-9-7-12(8-10-13)20(26)21-19(24)18-17(16-6-3-11-27-16)14-4-1-2-5-15(14)25-22(18)28-21/h3,6-11H,1-2,4-5,24H2.
What are the key properties of [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone?
[3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 392.46 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 4182485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).