5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

C16H17N3OS — CID 4690986

IUPAC5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=C2C(=O)N(C)C(=S)N2C)C=Cc2ccccc21
InChIInChI=1S/C16H17N3OS/c1-4-19-12-8-6-5-7-11(12)9-10-13(19)14-15(20)18(3)16(21)17(14)2/h5-10H,4H2,1-3H3
InChIKeyXYZYTOMDQIUYSV-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.44
Rot. Bonds1

About 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 4690986) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID4690986
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=C2C(=O)N(C)C(=S)N2C)C=Cc2ccccc21
InChIInChI=1S/C16H17N3OS/c1-4-19-12-8-6-5-7-11(12)9-10-13(19)14-15(20)18(3)16(21)17(14)2/h5-10H,4H2,1-3H3
InChIKeyXYZYTOMDQIUYSV-UHFFFAOYSA-N
XLogP2.44
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
CID 3698104
(2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one
CID 6157777
3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1-ethylquinolin-2-ylidene)-1,3-thiazolidin-4-one
CID 3692571
(2Z,5Z)-3-ethyl-2-(1-methylpyridin-1-ium-2-yl)imino-5-(1-methylquinolin-2-ylidene)-1,3-thiazolidin-4-one
CID 11847498
N,N-diethylethanamine;3-[2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonic acid
CID 171152275
(5Z)-3-ethyl-1-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylideneimidazolidin-4-one
CID 22887445
(2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
CID 5291722
3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1204513
4-benzo[b][1]benzazepin-11-ylbutan-1-ol
CID 10869189
2-ethenylidene-1-ethylquinoline
CID 101423896
(2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 25250704
2-benzo[b][1]benzazepin-11-yl-N,N-dimethylethanamine;hydrochloride
CID 3069671

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 4690986) is 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is CCN1C(=C2C(=O)N(C)C(=S)N2C)C=Cc2ccccc21.
What is the InChIKey of 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XYZYTOMDQIUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-4-19-12-8-6-5-7-11(12)9-10-13(19)14-15(20)18(3)16(21)17(14)2/h5-10H,4H2,1-3H3.
What are the key properties of 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 299.40 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4690986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).