6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline

C25H21NS — CID 167354777

IUPAC6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline
SMILESCc1cc(-c2nc3ccccc3c3c2sc2ccccc23)c(C)c(C)c1C
InChIInChI=1S/C25H21NS/c1-14-13-20(17(4)16(3)15(14)2)24-25-23(18-9-5-7-11-21(18)26-24)19-10-6-8-12-22(19)27-25/h5-13H,1-4H3
InChIKeyIHURZOTVDIKCLA-UHFFFAOYSA-N
MW367.52 g/mol
LogP7.50
Rot. Bonds1

About 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline

6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline (PubChem CID 167354777) has the molecular formula C25H21NS and a molecular weight of 367.52 g/mol. Its IUPAC name is 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline
PubChem CID167354777
Molecular FormulaC25H21NS
Molecular Weight367.52 g/mol
Exact Mass367.14
IUPAC Name6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline
SMILESCc1cc(-c2nc3ccccc3c3c2sc2ccccc23)c(C)c(C)c1C
InChIInChI=1S/C25H21NS/c1-14-13-20(17(4)16(3)15(14)2)24-25-23(18-9-5-7-11-21(18)26-24)19-10-6-8-12-22(19)27-25/h5-13H,1-4H3
InChIKeyIHURZOTVDIKCLA-UHFFFAOYSA-N
XLogP7.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 129134458
6-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline
CID 155019111
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636
6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
4-([1]benzothiolo[2,3-c]quinolin-6-yl)benzonitrile
CID 167354939
3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole
CID 163939052
6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 171407347
2,3,4-trimethyldibenzothiophene
CID 15818020
6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline
CID 129086165
6-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163841629
14-phenyl-11-(2-phenylquinazolin-4-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513271

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline (CID 167354777) is 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline is Cc1cc(-c2nc3ccccc3c3c2sc2ccccc23)c(C)c(C)c1C.
What is the InChIKey of 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is IHURZOTVDIKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NS/c1-14-13-20(17(4)16(3)15(14)2)24-25-23(18-9-5-7-11-21(18)26-24)19-10-6-8-12-22(19)27-25/h5-13H,1-4H3.
What are the key properties of 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline?
6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 367.52 g/mol, XLogP of 7.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 167354777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).