6,7-dihydrobenzo[a]quinolizine-4-thione

C13H11NS — CID 90992606

IUPAC6,7-dihydrobenzo[a]quinolizine-4-thione
SMILESS=c1cccc2n1CCc1ccccc1-2
InChIInChI=1S/C13H11NS/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h1-7H,8-9H2
InChIKeyDVVZYXDMWNNGPS-UHFFFAOYSA-N
MW213.31 g/mol
LogP3.44
Rot. Bonds

About 6,7-dihydrobenzo[a]quinolizine-4-thione

6,7-dihydrobenzo[a]quinolizine-4-thione (PubChem CID 90992606) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 6,7-dihydrobenzo[a]quinolizine-4-thione.

Molecular Properties

Compound Name6,7-dihydrobenzo[a]quinolizine-4-thione
PubChem CID90992606
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name6,7-dihydrobenzo[a]quinolizine-4-thione
SMILESS=c1cccc2n1CCc1ccccc1-2
InChIInChI=1S/C13H11NS/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h1-7H,8-9H2
InChIKeyDVVZYXDMWNNGPS-UHFFFAOYSA-N
XLogP3.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,7-dihydrobenzo[a]quinolizine-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

3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 132527704
5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925518
2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone
CID 67429784
4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122642055
2-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 23591920
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2-(4-bromophenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 778929
2,3-dihydroindene-1-thione;ethane
CID 142140670
6H-indolo[2,3-a]quinolizine-4-thione
CID 139908913
2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline
CID 59315433

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydrobenzo[a]quinolizine-4-thione?
The IUPAC name of 6,7-dihydrobenzo[a]quinolizine-4-thione (CID 90992606) is 6,7-dihydrobenzo[a]quinolizine-4-thione.
What is the SMILES notation for 6,7-dihydrobenzo[a]quinolizine-4-thione?
The canonical SMILES for 6,7-dihydrobenzo[a]quinolizine-4-thione is S=c1cccc2n1CCc1ccccc1-2.
What is the InChIKey of 6,7-dihydrobenzo[a]quinolizine-4-thione?
The InChIKey is DVVZYXDMWNNGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h1-7H,8-9H2.
What are the key properties of 6,7-dihydrobenzo[a]quinolizine-4-thione?
6,7-dihydrobenzo[a]quinolizine-4-thione has a molecular weight of 213.31 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydrobenzo[a]quinolizine-4-thione is sourced from PubChem (CID 90992606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).