2-methyl-3-(4-oxo-3-phenylthiazolidin-2-ylidenamino)-4-(3H)-quinazolinone
Basic information
- CAS
92835-19-3- Standard SMILES
Cc1nc2ccccc2c(=O)n1/N=C1/SCC(=O)N1c1ccccc1- InChIKey
JKFRBXIUGXAIRN-UHFFFAOYSA-N- Molecular formula
- C18H14N4O2S
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.08374688
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-methyl-3-(4-oxo-3-phenylthiazolidin-2-ylidenamino)-4-(3H)-quinazolinone
- IUPAC
- (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-3-phenyl-1,3-thiazolidin-4-one
- English name
- 2-methyl-3-(4-oxo-3-phenylthiazolidin-2-ylidenamino)-4-(3H)-quinazolinone
- Molecular formula
- C18H16N4OS
- Molecular weight
- 336.41
Names & synonyms
92835-19-32-Methyl-3-(4-oxo-3-phenylthiazolidin-2-ylidenamino)-4-(3H)-quinazolinone4-Thiazolidinone, 2-((2-methyl-3(4H)-quinazolinyl)imino)-3-phenyl-, (11beta,17alpha)-RefChem:88065MOPTQ(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-3-phenyl-1,3-thiazolidin-4-one4-Thiazolidinone, 2-[(2-methyl-3(4H)-quinazolinyl)imino]-3-phenyl-
Database identifiers
- CAS
92835-19-3- PubChem CID
- 6537166
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 627
Physicochemical properties
- Boiling point
- 504.6 · 504.6±53.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -0.82 · -0.82±0.20(Predicted)
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Compound notes
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