1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone

C19H18N2O3S — CID 2053096

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C19H18N2O3S/c22-19(21-11-5-7-14-6-1-4-10-17(14)21)13-25(23,24)18-12-20-16-9-3-2-8-15(16)18/h1-4,6,8-10,12,20H,5,7,11,13H2
InChIKeyBAMMQNIXCASUNC-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.92
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone (PubChem CID 2053096) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone
PubChem CID2053096
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C19H18N2O3S/c22-19(21-11-5-7-14-6-1-4-10-17(14)21)13-25(23,24)18-12-20-16-9-3-2-8-15(16)18/h1-4,6,8-10,12,20H,5,7,11,13H2
InChIKeyBAMMQNIXCASUNC-UHFFFAOYSA-N
XLogP2.92
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone (CID 2053096) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone is O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone?
The InChIKey is BAMMQNIXCASUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-19(21-11-5-7-14-6-1-4-10-17(14)21)13-25(23,24)18-12-20-16-9-3-2-8-15(16)18/h1-4,6,8-10,12,20H,5,7,11,13H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone has a molecular weight of 354.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone is sourced from PubChem (CID 2053096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).