Basic information
- Standard SMILES
O=C(O)c1cc2cc(Cl)ccc2nc1NC(Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
KYMMOIFCRATTDM-UHFFFAOYSA-N- Molecular formula
- C21H16ClN3O4
- Average molar mass
- 409.8 g/mol
- Monoisotopic mass
- 409.0829337
Names & identifiers
- Preferred name
- 2-[1-Carboxy-2-(1H-indol-3-yl)-ethylamino]-6-chloro-quinoline-3-carboxylic acid
- IUPAC
- 2-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-6-chloroquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL2309213KYMMOIFCRATTDM-UHFFFAOYSA-N2-[1-Carboxy-2-(1H-indol-3-yl)-ethylamino]-6-chloro-quinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 45256702
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 621
Related reactions
1 records
Compound notes
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