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Summary Geometry Related PDB entries

MVS

Summary

Name:	4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile
Formula:	C19 H17 N3 O3
Formal charge:	0
Formula weight:	335.357 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile
OpenEye OEToolkits	2.0.7	4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc(cc(OC)c1OC)Nc1ccnc2cc(ccc12)C#N
InChI	InChI	1.03	InChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-15-6-7-21-16-8-12(11-20)4-5-14(15)16/h4-10H,1-3H3,(H,21,22)
InChIKey	InChI	1.03	BLWQIEISIMYCHD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(Nc2ccnc3cc(ccc23)C#N)cc(OC)c1OC
SMILES	CACTVS	3.385	COc1cc(Nc2ccnc3cc(ccc23)C#N)cc(OC)c1OC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)Nc2ccnc3c2ccc(c3)C#N
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)Nc2ccnc3c2ccc(c3)C#N

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