(5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one

C21H19N3OS — CID 6103449

IUPAC(5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1/C(=C2\C(=O)N(C)C(=S)N2c2ccccc2)C=Cc2ccccc21
InChIInChI=1S/C21H19N3OS/c1-3-23-17-12-8-7-9-15(17)13-14-18(23)19-20(25)22(2)21(26)24(19)16-10-5-4-6-11-16/h4-14H,3H2,1-2H3/b19-18+
InChIKeyAVWSRKJKCVEYCC-VHEBQXMUSA-N
MW361.47 g/mol
LogP4.01
Rot. Bonds2

About (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one

(5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 6103449) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID6103449
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name(5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1/C(=C2\C(=O)N(C)C(=S)N2c2ccccc2)C=Cc2ccccc21
InChIInChI=1S/C21H19N3OS/c1-3-23-17-12-8-7-9-15(17)13-14-18(23)19-20(25)22(2)21(26)24(19)16-10-5-4-6-11-16/h4-14H,3H2,1-2H3/b19-18+
InChIKeyAVWSRKJKCVEYCC-VHEBQXMUSA-N
XLogP4.01
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.01
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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Launch Full Analysis

Related Compounds

4H-Imidazo(4,5-c)quinolin-4-one, 1,2,3,5-tetrahydro-5-butyl-1-methyl-2-thioxo-
CID 3077038
(5E)-5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
CID 3124665
1-Benzyl-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4064932
(5E)-5-(1-ethylquinolin-2(1H)-ylidene)-1,3-dimethyl-2-thioxoimidazolidin-4-one
CID 6187172
(5E)-1-benzyl-5-{[4-(dimethylamino)phenyl]methylidene}imidazolidine-2,4-dione
CID 25185444
1,3-Dimethyl-5-[3-methyl-4-(1-pyrrolidinyl)benzylidene]-2-thioxo-4-imidazolidinone
CID 891056
5-(1-ethyl-6-methyl-2(1H)-quinolinylidene)-1,3-dimethyl-2-thioxo-4-imidazolidinone
CID 1731145
3-Benzyl-5-[4-(dimethylamino)benzylidene]-2-thioxo-4-imidazolidinone
CID 1803281
N-[(1-ethyl-5-oxo-3-phenyl-2-thioxo-4-imidazolidinylidene)methyl]-N-phenylacetamide
CID 2177873
3-ethyl-5-(1-propyl-2(1H)-quinolinylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 2179475
3-Methyl-5-[3-methyl-4-(1-pyrrolidinyl)benzylidene]-2-thioxo-4-imidazolidinone
CID 2185976
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2538148

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one (CID 6103449) is (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one is CCN1/C(=C2\C(=O)N(C)C(=S)N2c2ccccc2)C=Cc2ccccc21.
What is the InChIKey of (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is AVWSRKJKCVEYCC-VHEBQXMUSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-3-23-17-12-8-7-9-15(17)13-14-18(23)19-20(25)22(2)21(26)24(19)16-10-5-4-6-11-16/h4-14H,3H2,1-2H3/b19-18+.
What are the key properties of (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one?
(5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 361.47 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6103449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).