8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione

C12H12BrNS — CID 22462483

IUPAC8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
SMILESS=C1Nc2ccc(Br)cc2C2CCCC12
InChIInChI=1S/C12H12BrNS/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15)14-11/h4-6,8-9H,1-3H2,(H,14,15)
InChIKeySYQVYLDWQDECRC-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.09
Rot. Bonds

About 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione

8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione (PubChem CID 22462483) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione.

Molecular Properties

Compound Name8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
PubChem CID22462483
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
SMILESS=C1Nc2ccc(Br)cc2C2CCCC12
InChIInChI=1S/C12H12BrNS/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15)14-11/h4-6,8-9H,1-3H2,(H,14,15)
InChIKeySYQVYLDWQDECRC-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Bromo-2,2-dimethyl-1,2,3,4-tetrahydroquinoline
CID 18620064
6-Bromo-2-methylquinoline-4-thiol
CID 790334
6-Bromo-4-methyl-1,2,3,4-tetrahydroquinoline
CID 72710295
6-bromo-1H-3,1-benzothiazine-2,4-dithione
CID 5472017
3a-Fluoro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
CID 11333516
8-Bromo-3a-fluoro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
CID 18516399
6-Fluoro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
CID 22462436
8-Fluoro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
CID 22462440
7-Fluoro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
CID 22462457
6-bromo-7-fluoro-3,4-dihydroquinoline-2(1H)-thione
CID 89156068
6-bromo-8-fluoro-3,4-dihydroquinoline-2(1H)-thione
CID 89156071
6-bromo-5-fluoro-3,4-dihydroquinoline-2(1H)-thione
CID 89961681

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione?
The IUPAC name of 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione (CID 22462483) is 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione.
What is the SMILES notation for 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione?
The canonical SMILES for 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione is S=C1Nc2ccc(Br)cc2C2CCCC12.
What is the InChIKey of 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione?
The InChIKey is SYQVYLDWQDECRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15)14-11/h4-6,8-9H,1-3H2,(H,14,15).
What are the key properties of 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione?
8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione has a molecular weight of 282.21 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione is sourced from PubChem (CID 22462483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).