(E)-N-(3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-methoxybenzamide
Basic information
- CAS
872118-28-0- Standard SMILES
COCCCn1c(=NC(=O)c2cccc(OC)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21- InChIKey
IMPHMPXTJXTNFA-UHFFFAOYSA-N- Molecular formula
- C25H23N5O4
- Average molar mass
- 457.5 g/mol
Names & identifiers
- Preferred name
- (E)-N-(3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-methoxybenzamide
- IUPAC
- N-[5-cyano-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3-methoxybenzamide
- English name
- N-[3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-3-methoxybenzamide
- Molecular formula
- C25H23N5O4
- Molecular weight
- 457.48
Names & synonyms
872118-28-0(E)-N-(3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-methoxybenzamideSTK644842AKOS001135631AKOS030665786N-[5-Cyano-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3-methoxybenzamideAO-022/43455039Z118331644N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-methoxybenzamideN-[3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-3-methoxybenzamideBenzamide, N-[3-cyano-1,5-dihydro-1-(3-methoxypropyl)-10-methyl-5-oxo-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-methoxy-
Database identifiers
- CAS
872118-28-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 604.6 · 604.6±65.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 0 · -0+-.0.60(Predicted)
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Compound notes
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