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

C19H18N2OS — CID 3356385

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone
SMILESO=C(CSc1c[nH]c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C19H18N2OS/c22-19(21-11-5-7-14-6-1-4-10-17(14)21)13-23-18-12-20-16-9-3-2-8-15(16)18/h1-4,6,8-10,12,20H,5,7,11,13H2
InChIKeyCVHOOZBCWQYELD-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.24
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone (PubChem CID 3356385) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone
PubChem CID3356385
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone
SMILESO=C(CSc1c[nH]c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C19H18N2OS/c22-19(21-11-5-7-14-6-1-4-10-17(14)21)13-23-18-12-20-16-9-3-2-8-15(16)18/h1-4,6,8-10,12,20H,5,7,11,13H2
InChIKeyCVHOOZBCWQYELD-UHFFFAOYSA-N
XLogP4.24
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-ylsulfanyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone (CID 3356385) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone is O=C(CSc1c[nH]c2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone?
The InChIKey is CVHOOZBCWQYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c22-19(21-11-5-7-14-6-1-4-10-17(14)21)13-23-18-12-20-16-9-3-2-8-15(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-ylsulfanyl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone has a molecular weight of 322.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfanyl)ethanone is sourced from PubChem (CID 3356385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).