MRW

7-chloroquinolin-4-ol

Created:	2013-09-20
Last modified:	2014-05-14

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1 entries where MRW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	11

2D diagram of MRW

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Chemical Component Summary
Name	7-chloroquinolin-4-ol
Systematic Name (OpenEye OEToolkits)	7-chloranylquinolin-4-ol
Formula	C₉ H₆ Cl N O
Molecular Weight	179.603
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc2nccc(O)c2cc1
SMILES	CACTVS	3.385	Oc1ccnc2cc(Cl)ccc12
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(ccnc2cc1Cl)O
Canonical SMILES	CACTVS	3.385	Oc1ccnc2cc(Cl)ccc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(ccnc2cc1Cl)O
InChI	InChI	1.03	InChI=1S/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
InChIKey	InChI	1.03	XMFXTXKSWIDMER-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66593
ChEMBL	CHEMBL1409793
CCDC/CSD	HILKUL

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.