4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methylphenyl)-2-(1-piperidinylmethyl)-
Basic information
- CAS
77161-23-0- Standard SMILES
Cc1ccccc1-n1c(CN2CCCCC2)nc2c(Br)cc(Br)cc2c1=O- InChIKey
VXVXMIZQRGGBCW-UHFFFAOYSA-N- Molecular formula
- C21H21Br2N3O
- Average molar mass
- 491.2 g/mol
- Monoisotopic mass
- 489.00514
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methylphenyl)-2-(1-piperidinylmethyl)-
- IUPAC
- 6,8-dibromo-3-(2-methylphenyl)-2-(piperidin-1-ylmethyl)quinazolin-4-one
Names & synonyms
77161-23-04(3H)-Quinazolinone, 6,8-dibromo-3-(2-methylphenyl)-2-(1-piperidinylmethyl)-6,8-Dibromo-3-(2-methylphenyl)-2-(1-piperidinylmethyl)-4(3H)-quinazolinoneDTXSID50227922RefChem:284222DTXCID001504136,8-Dibromo-3-(2-methylphenyl)-2-[(piperidin-1-yl)methyl]quinazolin-4(3H)-one
Database identifiers
- CAS
77161-23-0- PubChem CID
- 63897
- DTXSID
DTXSID50227922
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 578
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Compound notes
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