1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone

C20H16N2OS — CID 1252760

IUPAC1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C20H16N2OS/c1-13-20(15-7-3-5-9-17(15)21-13)18(23)12-24-19-11-10-14-6-2-4-8-16(14)22-19/h2-11,21H,12H2,1H3
InChIKeyYXFFGGXASQALOZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.00
Rot. Bonds4

About 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone

1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone (PubChem CID 1252760) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
PubChem CID1252760
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C20H16N2OS/c1-13-20(15-7-3-5-9-17(15)21-13)18(23)12-24-19-11-10-14-6-2-4-8-16(14)22-19/h2-11,21H,12H2,1H3
InChIKeyYXFFGGXASQALOZ-UHFFFAOYSA-N
XLogP5.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4813760
2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 2341713
1-(2-methyl-1H-indol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 722189
1-(2-methyl-1H-indol-3-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 51319726
2-quinolin-2-ylsulfanylacetamide
CID 2056006
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 3827614
1-(2-methyl-1H-indol-3-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7257630
3-methyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 35790610
1-(2-methyl-1H-indol-3-yl)-2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 8634813
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360293

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone (CID 1252760) is 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone is Cc1[nH]c2ccccc2c1C(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone?
The InChIKey is YXFFGGXASQALOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13-20(15-7-3-5-9-17(15)21-13)18(23)12-24-19-11-10-14-6-2-4-8-16(14)22-19/h2-11,21H,12H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone?
1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone has a molecular weight of 332.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone is sourced from PubChem (CID 1252760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).