2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

C20H16F3N3S — CID 91170862

IUPAC2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESNc1c(-c2cc3ccc(C(F)(F)F)cc3[nH]2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C20H16F3N3S/c21-20(22,23)12-6-5-11-8-16(25-15(11)9-12)18-17(24)13-7-10-3-1-2-4-14(10)26-19(13)27-18/h5-9,25H,1-4,24H2
InChIKeyWAICALLBWWGWGF-UHFFFAOYSA-N
MW387.43 g/mol
LogP5.92
Rot. Bonds1

About 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (PubChem CID 91170862) has the molecular formula C20H16F3N3S and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
PubChem CID91170862
Molecular FormulaC20H16F3N3S
Molecular Weight387.43 g/mol
Exact Mass387.10
IUPAC Name2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESNc1c(-c2cc3ccc(C(F)(F)F)cc3[nH]2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C20H16F3N3S/c21-20(22,23)12-6-5-11-8-16(25-15(11)9-12)18-17(24)13-7-10-3-1-2-4-14(10)26-19(13)27-18/h5-9,25H,1-4,24H2
InChIKeyWAICALLBWWGWGF-UHFFFAOYSA-N
XLogP5.92
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine 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 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The IUPAC name of 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (CID 91170862) is 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.
What is the SMILES notation for 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The canonical SMILES for 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is Nc1c(-c2cc3ccc(C(F)(F)F)cc3[nH]2)sc2nc3c(cc12)CCCC3.
What is the InChIKey of 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The InChIKey is WAICALLBWWGWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3S/c21-20(22,23)12-6-5-11-8-16(25-15(11)9-12)18-17(24)13-7-10-3-1-2-4-14(10)26-19(13)27-18/h5-9,25H,1-4,24H2.
What are the key properties of 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine has a molecular weight of 387.43 g/mol, XLogP of 5.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-1H-indol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is sourced from PubChem (CID 91170862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).