Basic information
- CAS
4005-06-5- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccccc1C(=O)O- InChIKey
NVCRIJIVAAYRER-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- 2-(2-Methyl-4-oxoquinazolin-3(4h)-yl)benzoic acid
- IUPAC
- 2-(2-methyl-4-oxoquinazolin-3-yl)benzoic acid
- English name
- 2-(2-Methyl-4-oxo-4 H-quinazolin-3-yl)-benzoic acid
- Molecular formula
- C16H12N2O3
- Molecular weight
- 280.28
Names & synonyms
4005-06-52-(2-methyl-4-oxoquinazolin-3(4h)-yl)benzoic acid2-(2-methyl-4-oxoquinazolin-3-yl)benzoic acid2-(2-methyl-4-oxo-4 h-quinazolin-3-yl)-benzoic acidMFCD021979292-(2-Methyl-4-oxo-4 H -quinazolin-3-yl)-benzoic acid2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzoic acid2-(2-methyl-4-oxo-quinazolin-3-yl)benzoic Acid2-(2-Methyl-4-oxo-3(4H)-quinazolinyl)benzoic acid2-(2-Methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acidDTXSID50274592EAA00506
Show more names
CHEMBRDG-BB 5877923Benzoic acid, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid(SALTDATA: FREE)
AKOS003593717BS-37790F029139
Database identifiers
- CAS
4005-06-5- PubChem CID
- 17328
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [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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