(5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one

C15H14N2O2S — CID 2259972

IUPAC(5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1/C(=C2\OC(=S)N(C)C2=O)C=Cc2ccccc21
InChIInChI=1S/C15H14N2O2S/c1-3-17-11-7-5-4-6-10(11)8-9-12(17)13-14(18)16(2)15(20)19-13/h4-9H,3H2,1-2H3/b13-12-
InChIKeyMVZSPWRLLAHZIO-SEYXRHQNSA-N
MW286.36 g/mol
LogP2.52
Rot. Bonds1

About (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one

(5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 2259972) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID2259972
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name(5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1/C(=C2\OC(=S)N(C)C2=O)C=Cc2ccccc21
InChIInChI=1S/C15H14N2O2S/c1-3-17-11-7-5-4-6-10(11)8-9-12(17)13-14(18)16(2)15(20)19-13/h4-9H,3H2,1-2H3/b13-12-
InChIKeyMVZSPWRLLAHZIO-SEYXRHQNSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_J(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[4-(Dimethylamino)benzylidene]-3-methyl-2-thioxo-1,3-oxazolidin-4-one
CID 2259994
N-(3-Ethyl-4-oxo-2-thioxo-oxazolidin-5-ylidenemethyl)-N-phenyl-acetamide
CID 3089085
3-Ethyl-5-(1-ethyl-6-methyl-1H-quinolin-2-ylidene)-2-thioxo-oxazolidin-4-one
CID 1721589
3-ethyl-5-(1-methyl-2(1H)-quinolinylidene)-2-thioxo-1,3-oxazolidin-4-one
CID 2179329
(5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 3098234
3-Ethyl-2-[3-ethyl-4-oxo-2-thioxo-thiazolidin-(5E)-ylidene]-5-[1-ethyl-1H-quinolin-(2E)-ylidene]-oxazolidin-4-one
CID 3098236
(5Z)-3-ethyl-5-{[methyl(phenyl)amino]methylene}-2-thioxo-1,3-oxazolidin-4-one
CID 3235580
Quinoline, 1,2-dihydro-1-methoxyacetyl-
CID 207819
NK 2367
CID 6443846
5-(1-ethyl-2(1H)-quinolinylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
CID 1728731
N-{2-[(3-ethyl-4-oxo-2-thioxo-1,3-oxazolidin-5-ylidene)methyl]phenyl}acetamide
CID 2190208
N-[(3-ethyl-4-oxo-2-thioxo(1,3-oxazolidin-5-ylidene))methyl]-N-phenylacetamide
CID 5411420

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 2259972) is (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one is CCN1/C(=C2\OC(=S)N(C)C2=O)C=Cc2ccccc21.
What is the InChIKey of (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is MVZSPWRLLAHZIO-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-17-11-7-5-4-6-10(11)8-9-12(17)13-14(18)16(2)15(20)19-13/h4-9H,3H2,1-2H3/b13-12-.
What are the key properties of (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one?
(5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-ethylquinolin-2-ylidene)-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 2259972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).