Basic information
- CAS
65298-49-9- Standard SMILES
CCCCCc1c(N)c(C(=O)O)nc2cc(C)c(C)cc12- InChIKey
KQLXMEKJTZJCIC-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.16812795
Names & identifiers
- Preferred name
- 3-Amino-6,7-dimethyl-4-pentyl-2-quinolinecarboxylic acid
- IUPAC
- 3-amino-6,7-dimethyl-4-pentylquinoline-2-carboxylic acid
Names & synonyms
3-Amino-6,7-dimethyl-4-pentyl-2-quinolinecarboxylic acidDTXSID00120167765298-49-93-Amino-6,7-dimethyl-4-pentylquinoline-2-carboxylic acid
Database identifiers
- CAS
65298-49-9- PubChem CID
- 12379998
- DTXSID
DTXSID001201677
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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