S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate

C21H20N2O3S — CID 88639240

IUPACS-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate
SMILESO=C(COc1cc(-c2ccccc2)nc2ccccc12)SN1CCOCC1
InChIInChI=1S/C21H20N2O3S/c24-21(27-23-10-12-25-13-11-23)15-26-20-14-19(16-6-2-1-3-7-16)22-18-9-5-4-8-17(18)20/h1-9,14H,10-13,15H2
InChIKeyBSYDNYLPYSCEDR-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.79
Rot. Bonds5

About S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate

S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate (PubChem CID 88639240) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate.

Molecular Properties

Compound NameS-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate
PubChem CID88639240
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameS-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate
SMILESO=C(COc1cc(-c2ccccc2)nc2ccccc12)SN1CCOCC1
InChIInChI=1S/C21H20N2O3S/c24-21(27-23-10-12-25-13-11-23)15-26-20-14-19(16-6-2-1-3-7-16)22-18-9-5-4-8-17(18)20/h1-9,14H,10-13,15H2
InChIKeyBSYDNYLPYSCEDR-UHFFFAOYSA-N
XLogP3.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride
CID 18432984
N-phenyl-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298665
4-ethoxy-2-phenylquinoline
CID 14954061
(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
N-[(4-methylphenyl)methyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298662
2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 39860435
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298895
[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 1023123
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2358673
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786

Frequently Asked Questions

What is the IUPAC name of S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate?
The IUPAC name of S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate (CID 88639240) is S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate.
What is the SMILES notation for S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate?
The canonical SMILES for S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate is O=C(COc1cc(-c2ccccc2)nc2ccccc12)SN1CCOCC1.
What is the InChIKey of S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate?
The InChIKey is BSYDNYLPYSCEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-21(27-23-10-12-25-13-11-23)15-26-20-14-19(16-6-2-1-3-7-16)22-18-9-5-4-8-17(18)20/h1-9,14H,10-13,15H2.
What are the key properties of S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate?
S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate has a molecular weight of 380.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate is sourced from PubChem (CID 88639240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).