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

C23H21NOS — CID 1271070

IUPAC(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone
SMILESO=C([C@H](Sc1ccccc1)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C23H21NOS/c25-23(24-17-9-13-18-10-7-8-16-21(18)24)22(19-11-3-1-4-12-19)26-20-14-5-2-6-15-20/h1-8,10-12,14-16,22H,9,13,17H2/t22-/m1/s1
InChIKeyJQEJVVVPJGTRHU-JOCHJYFZSA-N
MW359.49 g/mol
LogP5.50
Rot. Bonds4

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

(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone (PubChem CID 1271070) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone
PubChem CID1271070
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone
SMILESO=C([C@H](Sc1ccccc1)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C23H21NOS/c25-23(24-17-9-13-18-10-7-8-16-21(18)24)22(19-11-3-1-4-12-19)26-20-14-5-2-6-15-20/h1-8,10-12,14-16,22H,9,13,17H2/t22-/m1/s1
InChIKeyJQEJVVVPJGTRHU-JOCHJYFZSA-N
XLogP5.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842931
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536652
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 24710591
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium
CID 8595991
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone (CID 1271070) is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone is O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is JQEJVVVPJGTRHU-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21NOS/c25-23(24-17-9-13-18-10-7-8-16-21(18)24)22(19-11-3-1-4-12-19)26-20-14-5-2-6-15-20/h1-8,10-12,14-16,22H,9,13,17H2/t22-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone?
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 359.49 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 1271070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).