4(3H)-Quinazolinone, 3-(hydroxymethyl)-
Basic information
- CAS
14663-52-6- Standard SMILES
O=c1c2ccccc2ncn1CO- InChIKey
QXTNOVYBNJTXRE-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(hydroxymethyl)-
- IUPAC
- 3-(hydroxymethyl)quinazolin-4-one
- English name
- 3-(Hydroxymethyl)quinazolin-4(3H)-one
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
14663-52-63-(Hydroxymethyl)-4(3H)-quinazolinoneBRN 05134904(3H)-Quinazolinone, 3-(hydroxymethyl)-DTXSID401634265-24-03-00022 (Beilstein Handbook Reference)RefChem:284134DTXCID40859173-(hydroxymethyl)quinazolin-4(3H)-one3-(hydroxymethyl)quinazolin-4-one3-(hydroxymethyl)-3,4-dihydroquinazolin-4-oneSCHEMBL28825400
Show more names
AKOS0022662283-(hydroxymethyl)-3-hydroquinazolin-4-oneST50207455F3099-5852
Database identifiers
- CAS
14663-52-6- PubChem CID
- 63126
- DTXSID
DTXSID40163426
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Chemistry & industry
Upstream & downstream products
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Compound notes
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