Basic information
- CAS
2006-80-6- Standard SMILES
COC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O- InChIKey
GWYMSEVUCVMJFZ-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.10044231
Names & identifiers
- Preferred name
- Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester
- IUPAC
- methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate
Names & synonyms
2006-80-6B 270BRN 0282830BENZOIC ACID, o-(2-METHYL-3-(4(3H)-QUINAZOLINONYL)), METHYL ESTERMethyl o-(2-methyl-3-(4(3H)-quinazolinonyl))benzoate2-Methyl-3-(2'-methoxycarbonylphenyl)chinazolinone-(4) [German]DTXSID501738745-24-03-00157 (Beilstein Handbook Reference)2-Methyl-3-(2'-methoxycarbonylphenyl)chinazolinone-(4)RefChem:327754DTXCID9096365methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate
Show more names
methyl 2-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoateMLS000062064methyl 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzoateSMR000070060Oprea1_483698Oprea1_658028cid_16175CHEMBL1608226
Database identifiers
- CAS
2006-80-6- PubChem CID
- 16175
- DTXSID
DTXSID50173874- ChEMBL
CHEMBL1608226- Nikkaji
- J83.468H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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