5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine

C11H12N2S — CID 826449

IUPAC5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3sccc13)CCCC2
InChIInChI=1S/C11H12N2S/c12-10-7-3-1-2-4-9(7)13-11-8(10)5-6-14-11/h5-6H,1-4H2,(H2,12,13)
InChIKeyPMWMMNQYOBSEDT-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.76
Rot. Bonds

About 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine

5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine (PubChem CID 826449) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
PubChem CID826449
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3sccc13)CCCC2
InChIInChI=1S/C11H12N2S/c12-10-7-3-1-2-4-9(7)13-11-8(10)5-6-14-11/h5-6H,1-4H2,(H2,12,13)
InChIKeyPMWMMNQYOBSEDT-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine?
The IUPAC name of 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine (CID 826449) is 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine.
What is the SMILES notation for 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine?
The canonical SMILES for 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine is Nc1c2c(nc3sccc13)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine?
The InChIKey is PMWMMNQYOBSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c12-10-7-3-1-2-4-9(7)13-11-8(10)5-6-14-11/h5-6H,1-4H2,(H2,12,13).
What are the key properties of 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine?
5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine has a molecular weight of 204.30 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine is sourced from PubChem (CID 826449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).