Basic information
- CAS
16711-39-0- Standard SMILES
CC1N(c2ccccc2)C(=O)c2ccccc2N1C(=O)CN1CCCCC1.Cl.O- InChIKey
HNILUTUMKDATLF-UHFFFAOYSA-N- Molecular formula
- C22H28ClN3O3
- Average molar mass
- 417.9 g/mol
- Monoisotopic mass
- 417.1819195
Names & identifiers
- Preferred name
- 4(1H)-Quinazolinone, 2,3-dihydro-2-methyl-3-phenyl-1-(piperidinoacetyl)-, monohydrochloride, hydrate
- IUPAC
- 2-methyl-3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one;hydrate;hydrochloride
Names & synonyms
16711-39-02,3-Dihydro-2-methyl-3-phenyl-1-(piperidinoacetyl)-4(1H)-quinazolinone HCl hydrate4(1H)-Quinazolinone, 2,3-dihydro-2-methyl-3-phenyl-1-(piperidinoacetyl)-, monohydrochloride, hydrateRefChem:283657DTXSID009372812-Methyl-3-phenyl-1-[(piperidin-1-yl)acetyl]-2,3-dihydroquinazolin-4(1H)-one--hydrogen chloride--water (1/1/1)
Database identifiers
- CAS
16711-39-0- PubChem CID
- 63208
- DTXSID
DTXSID00937281
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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