Ba 51-084512
Basic information
- CAS
5060-50-4- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccccc1CO- InChIKey
VHBSPUXYKQNPJR-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Overview
metabolite of methaqualone
Names & identifiers
- Preferred name
- Ba 51-084512
- IUPAC
- 3-[2-(hydroxymethyl)phenyl]-2-methylquinazolin-4-one
- English name
- 2'-Hydroxymethaqualone
- Molecular formula
- C16H14N2O2
- Molecular weight
- 266.29
Names & synonyms
5060-50-4Ba 51-084512Ba-51-084512DTXSID101986492-Methyl-3-(2'-hydroxymethylphenyl)-4-(3H)-quinazolinoneRefChem:116202DTXCID201211404(3H)-Quinazolinone, 3-(alpha-hydroxy-o-tolyl)-2-methyl-3-[2-(hydroxymethyl)phenyl]-2-methylquinazolin-4-one3-(2-(hydroxymethyl)phenyl)-2-methylquinazolin-4(3H)-one3-[2-(hydroxymethyl)phenyl]-2-methyl-3,4-dihydroquinazolin-4-one3-[2-(hydroxymethyl)phenyl]-2-methylquinazolin-4(3H)-one
Show more names
2'-Hydroxymethaqualone2-Methyl-3-[2-(hydroxymethyl)phenyl]quinazoline-4(3H)-one
Hydroxyphenyl-methaqualon4(3H)-Quinazolinone,3-(alpha-hydroxy-o-tolyl)-2-methyl-VHBSPUXYKQNPJR-UHFFFAOYSA-N4(3H)-Quinazolinone, 3-(.alpha.-hydroxy-o-tolyl)-2-methyl-4(3H)-Quinazolinone, 3-[2-(hydroxymethyl)phenyl]-2-methyl-2-Methyl-3-(o-hydroxymethylphenyl) 4(3H)-quinazolinone3-[2-(Hydroxymethyl)phenyl]-2-methyl-4(3H)-quinazolinone #
Database identifiers
- CAS
5060-50-4- PubChem CID
- 63122
- DTXSID
DTXSID10198649- Nikkaji
- J113.241E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 109 · 109-110 °C(Solv: methanol (67-56-1))
- Boiling point
- 473.2 · 473.2±47.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 14.1 · 14.10±0.10(Predicted)
Chemistry & industry
Pharmacology
Metabolism/MetabolitesHydroxy-methaqualone is a known human metabolite of methaqualone.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…