Basic information
- Standard SMILES
Cc1ccc(Nc2cnc3c(c2)CCCC3)c(C(=O)O)c1- InChIKey
XYDFLIQVJIEALI-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.13682782
Names & identifiers
- Preferred name
- 5-Methyl-2-(5,6,7,8-tetrahydroquinolin-3-ylamino)benzoic acid
- IUPAC
- 5-methyl-2-(5,6,7,8-tetrahydroquinolin-3-ylamino)benzoic acid
Names & synonyms
SCHEMBL468547XYDFLIQVJIEALI-UHFFFAOYSA-N5-methyl-2-(5,6,7,8-tetrahydroquinolin-3-ylamino)benzoic acid
Database identifiers
- PubChem CID
- 46847427
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
1 records
Compound notes
Loading…