English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

5F7

Summary

Name:	N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine
Formula:	C17 H14 Cl2 N2 O
Formal charge:	0
Formula weight:	333.212 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine
OpenEye OEToolkits	1.9.2	N-[2,6-bis(chloranyl)phenyl]-4-methoxy-N-methyl-quinolin-6-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(OC)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)C
InChI	InChI	1.03	InChI=1S/C17H14Cl2N2O/c1-21(17-13(18)4-3-5-14(17)19)11-6-7-15-12(10-11)16(22-2)8-9-20-15/h3-10H,1-2H3
InChIKey	InChI	1.03	IQXIXPLQQDFASE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccnc2ccc(cc12)N(C)c3c(Cl)cccc3Cl
SMILES	CACTVS	3.385	COc1ccnc2ccc(cc12)N(C)c3c(Cl)cccc3Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl
SMILES	OpenEye OEToolkits	1.9.2	CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl

222415

건을2024-07-10부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon