3-Hydroxyproquazone
Basic information
- CAS
65765-07-3- Standard SMILES
Cc1ccc2c(-c3cccc(O)c3)nc(=O)n(C(C)C)c2c1- InChIKey
HGZHAINHFBFXIU-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Overview
proquazone metabolite; structure given in first source
Names & identifiers
- Preferred name
- 3-Hydroxyproquazone
- IUPAC
- 4-(3-hydroxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one
- English name
- 3-hydroxyproquazone
- Molecular formula
- C18H18N2O2
- Molecular weight
- 294.35
Names & synonyms
3-Hydroxyproquazonemeta-Hydroxyproquazone65765-07-3RefChem:94396Compound 50-8924-(3-hydroxyphenyl)-7-methyl-1-(propan-2-yl)quinazolin-2(1H)-one4-(3-hydroxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one4-(3-Hydroxyphenyl)-7-methyl-1-(1-methylethyl)-2(1H)-quinazolinoneDTXSID2020343SCHEMBL11605525HGZHAINHFBFXIU-UHFFFAOYSA-N2(1H)-Quinazolinone, 4-(3-hydroxyphenyl)-7-methyl-1-(1-methylethyl)-
Show more names
Q630881721-isopropyl-4-(3-hydroxyphenyl)-7-methyl-2(1H)-quinazolinone
Database identifiers
- CAS
65765-07-3- PubChem CID
- 63257
- DTXSID
DTXSID2020343- Nikkaji
- J2.504.553J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 499.3 · 499.3±55.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 9 · 9.00±0.10(Predicted)
Related reactions
6 records
Compound notes
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