XG1

2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine

Created:	2014-05-19
Last modified:	2014-10-22

Find Related PDB Entry
1 entries where XG1 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	15

2D diagram of XG1

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine
Systematic Name (OpenEye OEToolkits)	2-butylpyrazolo[3,4-c]quinolin-4-amine
Formula	C₁₄ H₁₆ N₄
Molecular Weight	240.304
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c3c(c1cn(nc1c2N)CCCC)cccc3
SMILES	CACTVS	3.385	CCCCn1cc2c3ccccc3nc(N)c2n1
SMILES	OpenEye OEToolkits	1.7.6	CCCCn1cc2c3ccccc3nc(c2n1)N
Canonical SMILES	CACTVS	3.385	CCCCn1cc2c3ccccc3nc(N)c2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCn1cc2c3ccccc3nc(c2n1)N
InChI	InChI	1.03	InChI=1S/C14H16N4/c1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18/h4-7,9H,2-3,8H2,1H3,(H2,15,16)
InChIKey	InChI	1.03	BRUVQRFMAMBUDN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66958698

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.