Basic information
- CAS
84312-88-9- Standard SMILES
O=C(O)CCc1nc2ccccc2c(=O)n1Cc1ccccc1- InChIKey
PQIKBEJLCXECHM-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609238
Names & identifiers
- Preferred name
- 3-(3-Benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
- IUPAC
- 3-(3-benzyl-4-oxoquinazolin-2-yl)propanoic acid
Names & synonyms
84312-88-9CHEMBL61719293-(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acidNSC251913DTXSID803122542-Quinazolinepropanoicacid, 3,4-dihydro-4-oxo-3-(phenylmethyl)-BDBM50666418AKOS016402270NSC-251913DS-0044693,4-DIHYDRO-4-OXO-3-(PHENYLMETHYL)-2-QUINAZOLINEPROPANOIC ACID
Database identifiers
- CAS
84312-88-9- PubChem CID
- 317907
- DTXSID
DTXSID80312254- ChEMBL
CHEMBL6171929
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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