5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol

C17H17N3S — CID 156572930

IUPAC5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol
SMILESCC1C2=C(C(C)c3nccnc3C2)C(S)c2ncccc21
InChIInChI=1S/C17H17N3S/c1-9-11-4-3-5-19-16(11)17(21)14-10(2)15-13(8-12(9)14)18-6-7-20-15/h3-7,9-10,17,21H,8H2,1-2H3
InChIKeyODMYNAHCZMBGCD-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.62
Rot. Bonds

About 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol

5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol (PubChem CID 156572930) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol.

Molecular Properties

Compound Name5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol
PubChem CID156572930
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol
SMILESCC1C2=C(C(C)c3nccnc3C2)C(S)c2ncccc21
InChIInChI=1S/C17H17N3S/c1-9-11-4-3-5-19-16(11)17(21)14-10(2)15-13(8-12(9)14)18-6-7-20-15/h3-7,9-10,17,21H,8H2,1-2H3
InChIKeyODMYNAHCZMBGCD-UHFFFAOYSA-N
XLogP3.62
TPSA38.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol 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

Pheniramine
CID 4761
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3-Diphenylpyrazine
CID 243907
2,4'-Bipyridine
CID 68488
Anabasamine
CID 161313
2-(2-(3-Pyridinyl)ethyl)pyridine
CID 248743
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
Lopac-P-6902
CID 667440
4,4'-Di-tert-butyl-2,2'-bipyridyl
CID 4249187
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
5-Methyl-2,2'-bipyridine
CID 11073848

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol?
The IUPAC name of 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol (CID 156572930) is 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol.
What is the SMILES notation for 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol?
The canonical SMILES for 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol is CC1C2=C(C(C)c3nccnc3C2)C(S)c2ncccc21.
What is the InChIKey of 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol?
The InChIKey is ODMYNAHCZMBGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-9-11-4-3-5-19-16(11)17(21)14-10(2)15-13(8-12(9)14)18-6-7-20-15/h3-7,9-10,17,21H,8H2,1-2H3.
What are the key properties of 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol?
5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol has a molecular weight of 295.41 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-5,6,11,12-tetrahydroquinolino[7,6-g]quinoxaline-6-thiol is sourced from PubChem (CID 156572930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).