1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone

C20H20N2O3S — CID 2053102

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone
SMILESCn1cc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-21-13-19(16-9-3-5-11-18(16)21)26(24,25)14-20(23)22-12-6-8-15-7-2-4-10-17(15)22/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyOAXLZYJCRNBBFQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.93
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone (PubChem CID 2053102) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone
PubChem CID2053102
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone
SMILESCn1cc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-21-13-19(16-9-3-5-11-18(16)21)26(24,25)14-20(23)22-12-6-8-15-7-2-4-10-17(15)22/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyOAXLZYJCRNBBFQ-UHFFFAOYSA-N
XLogP2.93
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone (CID 2053102) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone is Cn1cc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone?
The InChIKey is OAXLZYJCRNBBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-21-13-19(16-9-3-5-11-18(16)21)26(24,25)14-20(23)22-12-6-8-15-7-2-4-10-17(15)22/h2-5,7,9-11,13H,6,8,12,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone has a molecular weight of 368.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone is sourced from PubChem (CID 2053102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).