6-Amino-7-chloro-5,8-dioxoquinoline
Basic information
- CAS
18892-39-2- Standard SMILES
NC1=C(Cl)C(=O)c2ncccc2C1=O- InChIKey
KWGIFJNXSKZGKI-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O2
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 208.0039551
Overview
quinone structure important in this cpd; structure
Names & identifiers
- Preferred name
- 6-Amino-7-chloro-5,8-dioxoquinoline
- IUPAC
- 6-amino-7-chloroquinoline-5,8-dione
- English name
- 6-amino-7-chloro-5,8-dioxoquinoline
- Molecular weight
- 0
Names & synonyms
18892-39-26-Amino-7-chloro-5,8-dioxoquinoline6-Amino-7-chloro-5,8-quinolinedione5,8-Dioxo-6-amino-7-chloroquinoline2Q2DY57FQMNSC-81056DTXSID10172262RefChem:104193DTXCID30947536-amino-7-chloroquinoline-5,8-dione5,8-Quinolinedione, 6-amino-7-chloro-CHEMBL1098773
Show more names
6-Amino-7-chloro-5,8-quinolinequinoneNCIOpen2_004387NSC 81056UNII-2Q2DY57FQMNCIOpen2_004931SCHEMBL1612515NSC81056NSC84998
Database identifiers
- CAS
18892-39-2- PubChem CID
- 96583
- DTXSID
DTXSID10172262- ChEMBL
CHEMBL1098773- UNII
- 2Q2DY57FQM
- Nikkaji
- J1.359.856H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- FDA UNII
- 2 Q2DY57FQM · 2Q2DY57FQM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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