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

C26H21N3OS — CID 3698104

IUPAC5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=C2C(=O)N(c3ccccc3)C(=S)N2c2ccccc2)C=Cc2ccccc21
InChIInChI=1S/C26H21N3OS/c1-2-27-22-16-10-9-11-19(22)17-18-23(27)24-25(30)29(21-14-7-4-8-15-21)26(31)28(24)20-12-5-3-6-13-20/h3-18H,2H2,1H3
InChIKeyKVGUSCLCSMCMTB-UHFFFAOYSA-N
MW423.54 g/mol
LogP5.59
Rot. Bonds3

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

5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3698104) has the molecular formula C26H21N3OS and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3698104
Molecular FormulaC26H21N3OS
Molecular Weight423.54 g/mol
Exact Mass423.14
IUPAC Name5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=C2C(=O)N(c3ccccc3)C(=S)N2c2ccccc2)C=Cc2ccccc21
InChIInChI=1S/C26H21N3OS/c1-2-27-22-16-10-9-11-19(22)17-18-23(27)24-25(30)29(21-14-7-4-8-15-21)26(31)28(24)20-12-5-3-6-13-20/h3-18H,2H2,1H3
InChIKeyKVGUSCLCSMCMTB-UHFFFAOYSA-N
XLogP5.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 4690986
(2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one
CID 6157777
3-ethyl-5-(3-ethyl-1,3-benzoxazol-2-ylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 54035584
(2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one
CID 3094761
11-phenylbenzo[b][1]benzazepine
CID 11514559
5-(dimethylaminomethylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3648464
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
4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one
CID 773819
(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-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3689733
2-ethenylidene-1-ethylquinoline
CID 101423896
(2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 25250704

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (CID 3698104) is 5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is CCN1C(=C2C(=O)N(c3ccccc3)C(=S)N2c2ccccc2)C=Cc2ccccc21.
What is the InChIKey of 5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KVGUSCLCSMCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3OS/c1-2-27-22-16-10-9-11-19(22)17-18-23(27)24-25(30)29(21-14-7-4-8-15-21)26(31)28(24)20-12-5-3-6-13-20/h3-18H,2H2,1H3.
What are the key properties of 5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
5-(1-ethylquinolin-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 423.54 g/mol, XLogP of 5.59, 3 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-diphenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3698104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).