ISQ

ISOQUINOLINE

Created:	1999-07-08
Last modified:	2011-06-04

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4 entries where ISQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	11

2D diagram of ISQ

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Chemical Component Summary
Name	ISOQUINOLINE
Systematic Name (OpenEye OEToolkits)	isoquinoline
Formula	C₉ H₇ N
Molecular Weight	129.159
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2ccc1c(cccc1)c2
SMILES	CACTVS	3.341	c1ccc2cnccc2c1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2cnccc2c1
Canonical SMILES	CACTVS	3.341	c1ccc2cnccc2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2cnccc2c1
InChI	InChI	1.03	InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKey	InChI	1.03	AWJUIBRHMBBTKR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04329
Name	Isoquinoline
Groups	experimental
Synonyms	Isoquinoline
Categories	Heterocyclic Compounds, Fused-Ring
CAS number	119-65-3

Related Resource References

Resource Name	Reference
PubChem	8405
ChEMBL	CHEMBL12315
ChEBI	CHEBI:16092
CCDC/CSD	AYOWER, ALACAT, ECESAJ, AYIKAW, AYILEB, BUGTOO

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.