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Summary Geometry Related PDB entries

HB2

Summary

Name:	1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
Formula:	C18 H24 N4 O
Formal charge:	0
Formula weight:	312.409 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
OpenEye OEToolkits	1.7.6	1-(4-azanyl-2-butyl-imidazo[4,5-c]quinolin-1-yl)-2-methyl-propan-2-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3c1ccccc1c2c(nc(n2CC(O)(C)C)CCCC)c3N
InChI	InChI	1.03	InChI=1S/C18H24N4O/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20)
InChIKey	InChI	1.03	GITVQUOQRHRGQQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
SMILES	CACTVS	3.385	CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N
SMILES	OpenEye OEToolkits	1.7.6	CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N

219869

PDB entries from 2024-05-15

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