(4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one

C11H13NOS — CID 97085234

IUPAC(4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one
SMILESO=C1c2ccsc2CN2CCCC[C@H]12
InChIInChI=1S/C11H13NOS/c13-11-8-4-6-14-10(8)7-12-5-2-1-3-9(11)12/h4,6,9H,1-3,5,7H2/t9-/m1/s1
InChIKeyFFGYTSQUYVDFSD-SECBINFHSA-N
MW207.30 g/mol
LogP2.30
Rot. Bonds

About (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one

(4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one (PubChem CID 97085234) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one.

Molecular Properties

Compound Name(4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one
PubChem CID97085234
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one
SMILESO=C1c2ccsc2CN2CCCC[C@H]12
InChIInChI=1S/C11H13NOS/c13-11-8-4-6-14-10(8)7-12-5-2-1-3-9(11)12/h4,6,9H,1-3,5,7H2/t9-/m1/s1
InChIKeyFFGYTSQUYVDFSD-SECBINFHSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one?
The IUPAC name of (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one (CID 97085234) is (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one.
What is the SMILES notation for (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one?
The canonical SMILES for (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one is O=C1c2ccsc2CN2CCCC[C@H]12.
What is the InChIKey of (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one?
The InChIKey is FFGYTSQUYVDFSD-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NOS/c13-11-8-4-6-14-10(8)7-12-5-2-1-3-9(11)12/h4,6,9H,1-3,5,7H2/t9-/m1/s1.
What are the key properties of (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one?
(4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one has a molecular weight of 207.30 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one is sourced from PubChem (CID 97085234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).