1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone

C21H20N2OS — CID 3178379

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone
SMILESCc1cc2ccccc2nc1SCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H20N2OS/c1-14-11-16-7-3-5-9-18(16)22-21(14)25-13-20(24)23-15(2)12-17-8-4-6-10-19(17)23/h3-11,15H,12-13H2,1-2H3
InChIKeyOVKWWWAGLGENLJ-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.61
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone (PubChem CID 3178379) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone
PubChem CID3178379
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone
SMILESCc1cc2ccccc2nc1SCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H20N2OS/c1-14-11-16-7-3-5-9-18(16)22-21(14)25-13-20(24)23-15(2)12-17-8-4-6-10-19(17)23/h3-11,15H,12-13H2,1-2H3
InChIKeyOVKWWWAGLGENLJ-UHFFFAOYSA-N
XLogP4.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone (CID 3178379) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone is Cc1cc2ccccc2nc1SCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone?
The InChIKey is OVKWWWAGLGENLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-14-11-16-7-3-5-9-18(16)22-21(14)25-13-20(24)23-15(2)12-17-8-4-6-10-19(17)23/h3-11,15H,12-13H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone has a molecular weight of 348.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-methylquinolin-2-yl)sulfanylethanone is sourced from PubChem (CID 3178379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).