Basic information
- CAS
5657-52-3- Standard SMILES
COc1cccc(Nc2cc(C)c3ccccc3n2)c1- InChIKey
SWHMCCZQEXIIAF-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- N-(3-methoxyphenyl)-4-methylquinolin-2-amine
- IUPAC
- N-(3-methoxyphenyl)-4-methylquinolin-2-amine
- English name
- FURO[3,4-C]PYRIDIN-3(1H)-ONE
- Molecular formula
- C7H5NO2
- Molecular weight
- 135.12
Names & synonyms
N-(3-methoxyphenyl)-4-methylquinolin-2-amineChemDiv3_006985Oprea1_435869Oprea1_482255MLS001198563CHEMBL1502698DTXSID20972013HMS1492N11HMS2883D24STL431269AKOS000444250IDI1_024895
Show more names
1H-Furo[3,4-c]pyridin-3-oneFURO[3,4-C]PYRIDIN-3(1H)-ONE
SMR000558984ST45019217N-(3-methoxyphenyl)-4-methyl-2-quinolinamine(3-methoxyphenyl)(4-methyl(2-quinolyl))amineSR-01000115475N-(3-Methoxyphenyl)-4-methylquinolin-2(1H)-imineSR-01000115475-1
Database identifiers
- CAS
5657-52-3- PubChem CID
- 910456
- DTXSID
DTXSID20972013- ChEMBL
CHEMBL1502698
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
Solubility8.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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