3-[2-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoic acid
Basic information
- CAS
471916-04-8- Standard SMILES
O=C(CC1Nc2ccccc2NC1=O)Nc1cccc(C(=O)O)c1- InChIKey
KDMRNPQJYWJSJR-UHFFFAOYSA-N- Molecular formula
- C17H15N3O4
- Average molar mass
- 325.32 g/mol
- Monoisotopic mass
- 325.10625597
Names & identifiers
- Preferred name
- 3-[2-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoic acid
- IUPAC
- 3-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]benzoic acid
Names & synonyms
471916-04-83-(2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido)benzoic acid3-[2-(3-OXO-1,2,3,4-TETRAHYDROQUINOXALIN-2-YL)ACETAMIDO]BENZOIC ACIDRefChem:490422960-237-93-[2-(3-Oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-acetylamino]-benzoic acidCBMicro_035905F1065-0349Oprea1_815089STL0201413-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]benzoic acidAKOS000568949
Show more names
AKOS016318713BIM-0036009.P001ST50017798AB00685526-01AE-641/12845421SR-01000499990SR-01000499990-13-[2-(3-oxo-1,2,4-trihydroquinoxalin-2-yl)acetylamino]benzoic acid
Database identifiers
- CAS
471916-04-8- PubChem CID
- 2874604
- EC Number
- 960-237-9
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
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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