Basic information
- CAS
871814-26-5- Standard SMILES
CC(C)c1nc2c(OCC3CC3)c(O)ccc2c(=O)n1-c1ccc(C#N)cc1- InChIKey
WMNIXUNMONSGAF-UHFFFAOYSA-N- Molecular formula
- C22H21N3O3
- Average molar mass
- 375.4 g/mol
Names & identifiers
- Preferred name
- 4-[8-(Cyclopropylmethoxy)-7-hydroxy-2-isopropyl-4-oxo-3(4H)-quinazolinyl]benzonitrile
- IUPAC
- 4-[8-(cyclopropylmethoxy)-7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl]benzonitrile
- English name
- Benzonitrile, 4-[8-(cyclopropylmethoxy)-7-hydroxy-2-(1-methylethyl)-4-oxo-3(4H)-quinazolinyl]-
- Molecular formula
- C22H21N3O3
- Molecular weight
- 0
Names & synonyms
4-[8-(Cyclopropylmethoxy)-7-hydroxy-2-isopropyl-4-oxo-3(4H)-quinazolinyl]benzonitrile871814-26-5SCHEMBL10446282Benzonitrile, 4-[8-(cyclopropylmethoxy)-7-hydroxy-2-(1-methylethyl)-4-oxo-3(4H)-quinazolinyl]-
Database identifiers
- CAS
871814-26-5
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 670
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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