G1O

5-amino-4-methylisoquinolin-1(2H)-one

Created:	2014-08-08
Last modified:	2015-07-29

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1 entries where G1O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of G1O

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Chemical Component Summary
Name	5-amino-4-methylisoquinolin-1(2H)-one
Systematic Name (OpenEye OEToolkits)	5-azanyl-4-methyl-2H-isoquinolin-1-one
Formula	C₁₀ H₁₀ N₂ O
Molecular Weight	174.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2cccc(c2C(=CN1)C)N
SMILES	CACTVS	3.385	CC1=CNC(=O)c2cccc(N)c12
SMILES	OpenEye OEToolkits	1.7.6	CC1=CNC(=O)c2c1c(ccc2)N
Canonical SMILES	CACTVS	3.385	CC1=CNC(=O)c2cccc(N)c12
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1=CNC(=O)c2c1c(ccc2)N
InChI	InChI	1.03	InChI=1S/C10H10N2O/c1-6-5-12-10(13)7-3-2-4-8(11)9(6)7/h2-5H,11H2,1H3,(H,12,13)
InChIKey	InChI	1.03	HIQZHQXXBMHINP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	21979833

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