2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline

C27H23NS — CID 168815286

IUPAC2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline
SMILESCc1ccc2nc(-c3cccc4c3C(C)(C)C3c5ccccc5SC43)ccc2c1
InChIInChI=1S/C27H23NS/c1-16-11-13-21-17(15-16)12-14-22(28-21)18-8-6-9-20-24(18)27(2,3)25-19-7-4-5-10-23(19)29-26(20)25/h4-15,25-26H,1-3H3
InChIKeyIRUWWWXQMCGKIB-UHFFFAOYSA-N
MW393.56 g/mol
LogP7.43
Rot. Bonds1

About 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline

2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline (PubChem CID 168815286) has the molecular formula C27H23NS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline.

Molecular Properties

Compound Name2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline
PubChem CID168815286
Molecular FormulaC27H23NS
Molecular Weight393.56 g/mol
Exact Mass393.16
IUPAC Name2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline
SMILESCc1ccc2nc(-c3cccc4c3C(C)(C)C3c5ccccc5SC43)ccc2c1
InChIInChI=1S/C27H23NS/c1-16-11-13-21-17(15-16)12-14-22(28-21)18-8-6-9-20-24(18)27(2,3)25-19-7-4-5-10-23(19)29-26(20)25/h4-15,25-26H,1-3H3
InChIKeyIRUWWWXQMCGKIB-UHFFFAOYSA-N
XLogP7.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline with MolForge

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Related Compounds

2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline
CID 168815162
2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline
CID 168815128
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide
CID 46376242
2-(2,5-dimethylphenyl)quinoline
CID 1202732
6-methyl-2-(6-methylquinolin-2-yl)quinazoline
CID 130272199
2-(6-methylquinolin-2-yl)benzene-1,4-diol
CID 136961373
[3-(6-methylquinolin-2-yl)phenyl]methanamine
CID 174921519
2-(6-methylquinolin-2-yl)-4-phenylquinazoline
CID 162351932
2,5-dimethyl-4-(6-methylquinolin-2-yl)-1,3-thiazole
CID 58774484
5-methyl-2-quinolin-2-ylaniline
CID 116644996
2-(4-fluorophenyl)-6-methylquinoline
CID 13224215

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline?
The IUPAC name of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline (CID 168815286) is 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline.
What is the SMILES notation for 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline?
The canonical SMILES for 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline is Cc1ccc2nc(-c3cccc4c3C(C)(C)C3c5ccccc5SC43)ccc2c1.
What is the InChIKey of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline?
The InChIKey is IRUWWWXQMCGKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NS/c1-16-11-13-21-17(15-16)12-14-22(28-21)18-8-6-9-20-24(18)27(2,3)25-19-7-4-5-10-23(19)29-26(20)25/h4-15,25-26H,1-3H3.
What are the key properties of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline?
2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline has a molecular weight of 393.56 g/mol, XLogP of 7.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline is sourced from PubChem (CID 168815286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).