(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one

C17H20N2O2S — CID 41138346

IUPAC(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(S[C@H](C)C(=O)N2CCOCC2)nc2ccccc12
InChIInChI=1S/C17H20N2O2S/c1-12-11-16(18-15-6-4-3-5-14(12)15)22-13(2)17(20)19-7-9-21-10-8-19/h3-6,11,13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyKNQZYJMTPPXBGE-CYBMUJFWSA-N
MW316.43 g/mol
LogP2.88
Rot. Bonds3

About (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one

(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 41138346) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID41138346
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(S[C@H](C)C(=O)N2CCOCC2)nc2ccccc12
InChIInChI=1S/C17H20N2O2S/c1-12-11-16(18-15-6-4-3-5-14(12)15)22-13(2)17(20)19-7-9-21-10-8-19/h3-6,11,13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyKNQZYJMTPPXBGE-CYBMUJFWSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one
CID 42345635
2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4880552
N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46621109
3-(3-chlorophenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one
CID 16500242
2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 16514734
3-(4-fluorophenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one
CID 42736119
2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
CID 40804022
3-(3-chloro-2-methylphenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one
CID 16532675
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41041760
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17432104
N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide
CID 17413301
N-methyl-N-[1-(4-methylquinolin-2-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172892839

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (CID 41138346) is (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one is Cc1cc(S[C@H](C)C(=O)N2CCOCC2)nc2ccccc12.
What is the InChIKey of (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is KNQZYJMTPPXBGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-11-16(18-15-6-4-3-5-14(12)15)22-13(2)17(20)19-7-9-21-10-8-19/h3-6,11,13H,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 316.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 41138346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).