2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline

C11H13NS — CID 139910112

IUPAC2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline
SMILESC1=CC2=C(CC1)NC1=C(C2)SCC1
InChIInChI=1S/C11H13NS/c1-2-4-9-8(3-1)7-11-10(12-9)5-6-13-11/h1,3,12H,2,4-7H2
InChIKeyHAXUBESVXHMWOS-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.93
Rot. Bonds

About 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline

2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline (PubChem CID 139910112) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline.

Molecular Properties

Compound Name2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline
PubChem CID139910112
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline
SMILESC1=CC2=C(CC1)NC1=C(C2)SCC1
InChIInChI=1S/C11H13NS/c1-2-4-9-8(3-1)7-11-10(12-9)5-6-13-11/h1,3,12H,2,4-7H2
InChIKeyHAXUBESVXHMWOS-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 88377763
CID 88377763
CID 139910111
CID 139910111
CID 145700173
CID 145700173
CID 145700242
CID 145700242
CID 153840306
CID 153840306
CID 154211583
CID 154211583
CID 154260779
CID 154260779

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline?
The IUPAC name of 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline (CID 139910112) is 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline.
What is the SMILES notation for 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline?
The canonical SMILES for 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline is C1=CC2=C(CC1)NC1=C(C2)SCC1.
What is the InChIKey of 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline?
The InChIKey is HAXUBESVXHMWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-4-9-8(3-1)7-11-10(12-9)5-6-13-11/h1,3,12H,2,4-7H2.
What are the key properties of 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline?
2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline has a molecular weight of 191.30 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,9-hexahydrothieno[3,2-b]quinoline is sourced from PubChem (CID 139910112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).