3-nitro-N-(quinolin-8-yl)benzamide
Basic information
- CAS
62802-77-1- Standard SMILES
O=C(Nc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1- InChIKey
IGPIXGIGDVQTEE-UHFFFAOYSA-N- Molecular formula
- C16H11N3O3
- Average molar mass
- 293.28 g/mol
- Monoisotopic mass
- 293.08004122
Names & identifiers
- Preferred name
- 3-nitro-N-(quinolin-8-yl)benzamide
- IUPAC
- 3-nitro-N-quinolin-8-ylbenzamide
- English name
- 3-nitro-N-(8-quinolinyl)benzamide
- Molecular formula
- C16H11N3O3
- Molecular weight
- 293.27684
Names & synonyms
3-nitro-N-(quinolin-8-yl)benzamide62802-77-13-nitro-N-quinolin-8-ylbenzamideVEGFR-2-IN-29Benzamide, 3-nitro-N-8-quinolinyl-WAY-302159CHEMBL12715603-nitro-N-(8-quinolinyl)benzamide3-Nitro-N-(8-quinolyl)benzamide3-Nitro-N-quinolin-8-yl-benzamideCambridge id 5221119Oprea1_214657
Show more names
Inhibitor,VEGFR,quinoline amide,inhibit,WAY 302159,HUVEC,Vascular endothelial growth factor receptor,WAY302159
Oprea1_717466CBDivE_006587MLS001203464orb1297758orb1940131SCHEMBL291528233-Nitro-N-8-quinolinylbenzamideDTXSID80349681
Database identifiers
- CAS
62802-77-1- PubChem CID
- 657169
- DTXSID
DTXSID80349681- ChEMBL
CHEMBL1271560
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/mL · DMSO : 20 mg/mL (68.19 mM; ultrasonic and warming and heat to 60°C)
- form
- Solid
- color
- Light brown to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesVEGFR-2-IN-29 (Compound 5) is a VEGFR-2 inhibitor with an IC50 of 16.5 nM[1].
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Compound notes
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