QBC

7-chloroquinolin-4-amine

Created:	2022-06-06
Last modified:	2023-11-08

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3 entries where QBC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	11

2D diagram of QBC

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Chemical Component Summary
Name	7-chloroquinolin-4-amine
Systematic Name (OpenEye OEToolkits)	7-chloranylquinolin-4-amine
Formula	C₉ H₇ Cl N₂
Molecular Weight	178.618
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc2nccc(N)c2cc1
SMILES	CACTVS	3.385	Nc1ccnc2cc(Cl)ccc12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(ccnc2cc1Cl)N
Canonical SMILES	CACTVS	3.385	Nc1ccnc2cc(Cl)ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(ccnc2cc1Cl)N
InChI	InChI	1.03	InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
InChIKey	InChI	1.03	NDRZSRWMMUGOBP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	94711
ChEMBL	CHEMBL44789
ChEBI	CHEBI:166513

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.