3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione

C18H16N2S — CID 164683280

IUPAC3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione
SMILESS=c1[nH]c2cc3c(cc2nc1-c1ccccc1)CCCC3
InChIInChI=1S/C18H16N2S/c21-18-17(12-6-2-1-3-7-12)19-15-10-13-8-4-5-9-14(13)11-16(15)20-18/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)
InChIKeyUBQBVMWHBUXTQL-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.84
Rot. Bonds1

About 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione

3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione (PubChem CID 164683280) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione.

Molecular Properties

Compound Name3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione
PubChem CID164683280
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione
SMILESS=c1[nH]c2cc3c(cc2nc1-c1ccccc1)CCCC3
InChIInChI=1S/C18H16N2S/c21-18-17(12-6-2-1-3-7-12)19-15-10-13-8-4-5-9-14(13)11-16(15)20-18/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)
InChIKeyUBQBVMWHBUXTQL-UHFFFAOYSA-N
XLogP4.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine
CID 82096716
3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 134858637
N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine
CID 82336716
3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
CID 153492990
1-phenyl-5,6,7,8-tetrahydrophthalazine
CID 102496179
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one
CID 15190690
5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid
CID 105469710
2,3-diphenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 14436619
3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide
CID 82354697
7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline
CID 177349566
ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen
CID 142445895

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione?
The IUPAC name of 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione (CID 164683280) is 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione.
What is the SMILES notation for 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione?
The canonical SMILES for 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione is S=c1[nH]c2cc3c(cc2nc1-c1ccccc1)CCCC3.
What is the InChIKey of 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione?
The InChIKey is UBQBVMWHBUXTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c21-18-17(12-6-2-1-3-7-12)19-15-10-13-8-4-5-9-14(13)11-16(15)20-18/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21).
What are the key properties of 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione?
3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione has a molecular weight of 292.41 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6,7,8,9-tetrahydro-1H-benzo[g]quinoxaline-2-thione is sourced from PubChem (CID 164683280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).