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Summary Geometry Related PDB entries

OSJ

Summary

Name:	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
Formula:	C19 H21 N3 O
Formal charge:	0
Formula weight:	307.39 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
OpenEye OEToolkits	2.0.7	7-[3-(aminomethyl)-4-ethoxy-phenyl]-4-methyl-quinolin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NCc1cc(ccc1OCC)c2ccc3c(c2)nc(cc3C)N
InChI	InChI	1.03	InChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22)
InChIKey	InChI	1.03	AGWWSGQCTLAMKS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2
SMILES	CACTVS	3.385	CCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C
SMILES	OpenEye OEToolkits	2.0.7	CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C

221716

PDB entries from 2024-06-26

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