(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one

C19H17NO2S — CID 7755097

IUPAC(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one
SMILESCOc1ccc(C(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H17NO2S/c1-13(19(21)15-7-10-16(22-2)11-8-15)23-18-12-9-14-5-3-4-6-17(14)20-18/h3-13H,1-2H3/t13-/m1/s1
InChIKeyVFLFVAFYETVRKP-CYBMUJFWSA-N
MW323.42 g/mol
LogP4.61
Rot. Bonds5

About (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one

(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one (PubChem CID 7755097) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one
PubChem CID7755097
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one
SMILESCOc1ccc(C(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H17NO2S/c1-13(19(21)15-7-10-16(22-2)11-8-15)23-18-12-9-14-5-3-4-6-17(14)20-18/h3-13H,1-2H3/t13-/m1/s1
InChIKeyVFLFVAFYETVRKP-CYBMUJFWSA-N
XLogP4.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
ethyl 2-quinolin-2-ylsulfanylpropanoate
CID 46302535
2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43232307
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 102925420
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
(2S)-1-(4-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
CID 7558359
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463
(2S)-1-(2,3-dihydroindol-1-yl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755063
(2R)-1-(4-methoxyphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 7820557
(2S)-1-(4-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 51682190
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43413679

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one?
The IUPAC name of (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one (CID 7755097) is (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one is COc1ccc(C(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one?
The InChIKey is VFLFVAFYETVRKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-13(19(21)15-7-10-16(22-2)11-8-15)23-18-12-9-14-5-3-4-6-17(14)20-18/h3-13H,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one?
(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one has a molecular weight of 323.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 7755097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).