3-(4-Bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)quinazolin-4(3H)-one
Basic information
- CAS
84138-21-6- Standard SMILES
O=c1c2ccccc2nc(CNCC(O)(CO)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Br)cc1- InChIKey
JQQNIHLLRBDHBI-UHFFFAOYSA-N- Molecular formula
- C24H21BrN4O5
- Average molar mass
- 525.4 g/mol
- Monoisotopic mass
- 524.06953
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)quinazolin-4(3H)-one
- IUPAC
- 3-(4-bromophenyl)-2-[[[2,3-dihydroxy-2-(4-nitrophenyl)propyl]amino]methyl]quinazolin-4-one
Names & synonyms
84138-21-6DTXSID5010044043-(4-Bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)quinazolin-4(3H)-one3-(4-Bromophenyl)-2-({[2,3-dihydroxy-2-(4-nitrophenyl)propyl]amino}methyl)quinazolin-4(3H)-oneRefChem:1066790DTXCID2014313054(3H)-Quinazolinone, 3-(4-bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-, (R)-4(3H)-Quinazolinone, 3-(4-bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-, (+-)-4(3H)-Quinazolinone, 3-(4-bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-, (S)-84138-22-784173-52-4
Database identifiers
- CAS
84138-21-6、84138-22-7、84173-52-4- PubChem CID
- 63633
- DTXSID
DTXSID501004404
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 761
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Compound notes
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