1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone

C22H24N2OS — CID 23932853

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone
SMILESCCCn1cc(SCC(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C22H24N2OS/c1-2-13-23-15-21(18-10-4-6-12-20(18)23)26-16-22(25)24-14-7-9-17-8-3-5-11-19(17)24/h3-6,8,10-12,15H,2,7,9,13-14,16H2,1H3
InChIKeyVTYPWSUXQWGDQQ-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.12
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone (PubChem CID 23932853) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone
PubChem CID23932853
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone
SMILESCCCn1cc(SCC(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C22H24N2OS/c1-2-13-23-15-21(18-10-4-6-12-20(18)23)26-16-22(25)24-14-7-9-17-8-3-5-11-19(17)24/h3-6,8,10-12,15H,2,7,9,13-14,16H2,1H3
InChIKeyVTYPWSUXQWGDQQ-UHFFFAOYSA-N
XLogP5.12
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylbutanoic acid
CID 82180569
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 649447
2-(2-aminobutylsulfanyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 66228685
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 26911051
2-amino-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 43385222
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 30862978
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 27138971
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 715290

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone (CID 23932853) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone is CCCn1cc(SCC(=O)N2CCCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone?
The InChIKey is VTYPWSUXQWGDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-2-13-23-15-21(18-10-4-6-12-20(18)23)26-16-22(25)24-14-7-9-17-8-3-5-11-19(17)24/h3-6,8,10-12,15H,2,7,9,13-14,16H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propylindol-3-yl)sulfanylethanone has a molecular weight of 364.51 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 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-(1-propylindol-3-yl)sulfanylethanone is sourced from PubChem (CID 23932853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).