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

C17H17NOS — CID 3476595

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C17H17NOS/c19-17(13-20-15-9-2-1-3-10-15)18-12-6-8-14-7-4-5-11-16(14)18/h1-5,7,9-11H,6,8,12-13H2
InChIKeyMROKVWIEMREAJC-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.76
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone (PubChem CID 3476595) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
PubChem CID3476595
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C17H17NOS/c19-17(13-20-15-9-2-1-3-10-15)18-12-6-8-14-7-4-5-11-16(14)18/h1-5,7,9-11H,6,8,12-13H2
InChIKeyMROKVWIEMREAJC-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22784782
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 22777398
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42294873
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone
CID 3291619
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
2-amino-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 43385222
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842931
benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium
CID 8595991
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 22782103

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone (CID 3476595) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone?
The InChIKey is MROKVWIEMREAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-17(13-20-15-9-2-1-3-10-15)18-12-6-8-14-7-4-5-11-16(14)18/h1-5,7,9-11H,6,8,12-13H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone has a molecular weight of 283.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 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-phenylsulfanylethanone is sourced from PubChem (CID 3476595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).