3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
Basic information
- CAS
869716-05-2- Standard SMILES
Cn1c(CCC(=O)O)nc2ccccc2c1=O- InChIKey
UXGWMRNLTMHSST-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
- IUPAC
- 3-(3-methyl-4-oxoquinazolin-2-yl)propanoic acid
Names & synonyms
3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid869716-05-2RefChem:492133854-040-63-(3-methyl-4-oxo-3,4-dihydro-2-quinazolinyl)propanoic acid3-(3-methyl-4-oxoquinazolin-2-yl)propanoic acidCHEMBL4204982HMS1772P20ALBB-034359UJB71605BDBM50455887EBC-06620
Show more names
MFCD07344326AKOS009028904CS-0234696EN300-14586G41277Z1043430143-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoicacidEYA
Database identifiers
- CAS
869716-05-2- PubChem CID
- 7130899
- ChEMBL
CHEMBL4204982- EC Number
- 854-040-6
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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