3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-phenyl-3,4-dihydro-2(1H)-quinazolinone
Basic information
- Standard SMILES
O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(CC2CCCCC2)CC1- InChIKey
LLZCJDKJRWKNNO-UHFFFAOYSA-N- Molecular formula
- C26H33N3O
- Average molar mass
- 403.6 g/mol
- Monoisotopic mass
- 403.26236269
Names & identifiers
- Preferred name
- 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-phenyl-3,4-dihydro-2(1H)-quinazolinone
- IUPAC
- 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one
Names & synonyms
SCHEMBL6164725CHEMBL1194894LLZCJDKJRWKNNO-UHFFFAOYSA-N3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-phenyl-3,4-dihydro-2(1H)-quinazolinone
Database identifiers
- PubChem CID
- 15896331
- ChEMBL
CHEMBL1194894- Nikkaji
- J2.025.069K
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 561
Related reactions
2 records
Compound notes
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