(E)-N-(3-Benzylidene-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-yl)-3-(piperidin-1-yl)propanamide
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Basic information
- CAS
90263-34-6- Standard SMILES
O=C(CCN1CCCCC1)Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CC3- InChIKey
IKZNFIXEWJBYCF-UHFFFAOYSA-N- Molecular formula
- C26H28N4O2
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.22122615
Names & identifiers
- Preferred name
- (E)-N-(3-Benzylidene-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-yl)-3-(piperidin-1-yl)propanamide
- IUPAC
- N-(3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl)-3-piperidin-1-ylpropanamide
- English name
- 1-Piperidinepropanamide, N-[1,2,3,9-tetrahydro-9-oxo-3-(phenylmethylene)pyrrolo[2,1-b]quinazolin-6-yl]-
- Molecular formula
- C26H28N4O2
- Molecular weight
- 428.53
Names & synonyms
SCHEMBL10854492orb1697380orb2901228(E)-N-(3-Benzylidene-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1- b]quinazolin-6-yl)-3-(piperidin-1-yl)propanamideN-[(3E)-9-oxo-3-(phenylmethylidene)-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-6-yl]-3-(piperidin-1-yl)propanamideDL5H3N-(3-Benzylidene-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-yl)-3-(piperidin-1-yl)propanamideN-[9-oxo-3-(phenylmethylidene)-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-6-yl]-3-(piperidin-1-yl)propanamide1-Piperidinepropanamide, N-[1,2,3,9-tetrahydro-9-oxo-3-(phenylmethylene)pyrrolo[2,1-b]quinazolin-6-yl]-(E)-N-(3-Benzylidene-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-yl)-3-(piperidin-1-yl)propanamide
Database identifiers
- CAS
90263-34-6- PubChem CID
- 53921832
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 764
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.20(Predicted)
Related reactions
0 records
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Compound notes
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