(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one

C21H20N2OS — CID 7754971

IUPAC(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ccc2ccccc2n1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C21H20N2OS/c1-14-13-17-8-4-6-10-19(17)23(14)21(24)15(2)25-20-12-11-16-7-3-5-9-18(16)22-20/h3-12,14-15H,13H2,1-2H3/t14-,15+/m0/s1
InChIKeyWZOMEVCBXJHCFZ-LSDHHAIUSA-N
MW348.47 g/mol
LogP4.69
Rot. Bonds3

About (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one

(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one (PubChem CID 7754971) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one
PubChem CID7754971
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ccc2ccccc2n1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C21H20N2OS/c1-14-13-17-8-4-6-10-19(17)23(14)21(24)15(2)25-20-12-11-16-7-3-5-9-18(16)22-20/h3-12,14-15H,13H2,1-2H3/t14-,15+/m0/s1
InChIKeyWZOMEVCBXJHCFZ-LSDHHAIUSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one with MolForge

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Related Compounds

(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-2-ylsulfanylpropan-1-one
CID 41299266
(2S)-1-(2,3-dihydroindol-1-yl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755063
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 42972217
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-4-ylsulfanylpropan-1-one
CID 97024890
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylpropan-1-one
CID 9324206
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7363766
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one
CID 7365402
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 2097604
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 2097603
3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 11926055
3-(2-fluorophenyl)-2-[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 41449778
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one (CID 7754971) is (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one is C[C@@H](Sc1ccc2ccccc2n1)C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one?
The InChIKey is WZOMEVCBXJHCFZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-14-13-17-8-4-6-10-19(17)23(14)21(24)15(2)25-20-12-11-16-7-3-5-9-18(16)22-20/h3-12,14-15H,13H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one?
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one has a molecular weight of 348.47 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 7754971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).