Structural Complex
Chemical ID: HZQ
IUPAC Name: 5-chloranylquinolin-8-ol
Formal Charge: 0
Type: NON-POLYMER
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccc2ncccc2c1
InChI: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChI Key: SMWDFEZZVXVKRB-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C9 H6 Cl N O
Molecular weight: 179.603
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 1
Rotatable Bonds: 1
Heavy Atoms: 12
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.6 5-chloranylquinolin-8-ol
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
InChIKey InChI 1.03 CTQMJYWDVABFRZ-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 Oc1ccc(Cl)c2cccnc12
SMILES CACTVS 3.385 Oc1ccc(Cl)c2cccnc12
SMILES_CANONICAL OpenEye OEToolkits 2.0.6 c1cc2c(ccc(c2nc1)O)Cl
SMILES OpenEye OEToolkits 2.0.6 c1cc2c(ccc(c2nc1)O)Cl
Chemical Database Mapping
Database Reference ID
DrugBank DB15933
PubChem 2817
ChEBI 134818
ZINC ZINC000000001209
SureChEMBL SCHEMBL115838
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