Basic information
- Standard SMILES
NC(Cc1ccc(Nc2ccnc3ccccc23)cc1)C(=O)O- InChIKey
CWGZOQHXUHFGJX-UHFFFAOYSA-N- Molecular formula
- C18H17N3O2
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.13207679
Names & identifiers
- Preferred name
- 2-Amino-3-[4-(quinolin-4-ylamino)phenyl]propanoic acid
- IUPAC
- 2-amino-3-[4-(quinolin-4-ylamino)phenyl]propanoic acid
Database identifiers
- PubChem CID
- 67360266
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Related reactions
1 records
Compound notes
Loading…