3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride

C11H14ClNS — CID 67640798

IUPAC3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride
SMILESC1=CC2=NCCC3CCSC23C=C1.Cl
InChIInChI=1S/C11H13NS.ClH/c1-2-6-11-9(5-8-13-11)4-7-12-10(11)3-1;/h1-3,6,9H,4-5,7-8H2;1H
InChIKeyOFLZIQRZRMKKEP-UHFFFAOYSA-N
MW227.76 g/mol
LogP2.87
Rot. Bonds

About 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride

3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride (PubChem CID 67640798) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride.

Molecular Properties

Compound Name3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride
PubChem CID67640798
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride
SMILESC1=CC2=NCCC3CCSC23C=C1.Cl
InChIInChI=1S/C11H13NS.ClH/c1-2-6-11-9(5-8-13-11)4-7-12-10(11)3-1;/h1-3,6,9H,4-5,7-8H2;1H
InChIKeyOFLZIQRZRMKKEP-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride?
The IUPAC name of 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride (CID 67640798) is 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride.
What is the SMILES notation for 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride?
The canonical SMILES for 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride is C1=CC2=NCCC3CCSC23C=C1.Cl.
What is the InChIKey of 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride?
The InChIKey is OFLZIQRZRMKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS.ClH/c1-2-6-11-9(5-8-13-11)4-7-12-10(11)3-1;/h1-3,6,9H,4-5,7-8H2;1H.
What are the key properties of 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride?
3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride is sourced from PubChem (CID 67640798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).