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Summary Geometry Related PDB entries

AJ5

Summary

Name:	3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Formula:	C20 H19 Cl N2 O3
Formal charge:	0
Formula weight:	370.829 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
OpenEye OEToolkits	1.7.6	3-chloranyl-N-(2-methoxyethyl)-4-(4-methyl-2-oxidanylidene-1H-quinolin-7-yl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCOC)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3
InChI	InChI	1.03	InChI=1S/C20H19ClN2O3/c1-12-9-19(24)23-18-11-13(3-5-15(12)18)16-6-4-14(10-17(16)21)20(25)22-7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)
InChIKey	InChI	1.03	BENWFAKBOBCZKA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COCCNC(=O)c1ccc(c(Cl)c1)c2ccc3C(=CC(=O)Nc3c2)C
SMILES	CACTVS	3.370	COCCNC(=O)c1ccc(c(Cl)c1)c2ccc3C(=CC(=O)Nc3c2)C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC
SMILES	OpenEye OEToolkits	1.7.6	CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC

222415

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