Basic information
- CAS
5632-37-1- Standard SMILES
CC(=O)Cn1cnc2ccccc2c1=O- InChIKey
IVYYZSXTPJACKO-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-acetonyl-
- IUPAC
- 3-(2-oxopropyl)quinazolin-4-one
- English name
- 3-(2-OXOPROPYL)-4(3H)-QUINAZOLINONE
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
5632-37-14(3H)-Quinazolinone, 3-acetonyl-3-Acetonyl-4(3H)-quinazolinoneBRN 0171462DTXSID002048645-24-03-00037 (Beilstein Handbook Reference)RefChem:284164DTXCID301273553-(2-Oxopropyl)quinazolin-4(3H)-one3-(2-OXOPROPYL)-4(3H)-QUINAZOLINONE3-(2-oxopropyl)quinazolin-4-oneMFCD01686480
Show more names
ALD-N038053ZINC018479793-acetonyl-4-quinazolinone
3-(2-oxopropyl)-3,4-dihydroquinazolin-4-one4(3H)-Quinazolinone, 3-(2-oxopropyl)-3-(2-oxopropyl)-3-hydroquinazolin-4-one3-acetonylquinazolin-4-oneSCHEMBL11960231ALBB-025965SBB072772AKOS003390670
Database identifiers
- CAS
5632-37-1- PubChem CID
- 64022
- DTXSID
DTXSID00204864- Nikkaji
- J73.027K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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