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Summary Geometry Related PDB entries

9HM

Summary

Name:	N-(2-methylquinolin-8-yl)-4-[(propan-2-yl)oxy]benzamide
Formula:	C20 H20 N2 O2
Formal charge:	0
Formula weight:	320.385 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2-methylquinolin-8-yl)-4-[(propan-2-yl)oxy]benzamide
OpenEye OEToolkits	2.0.6	~{N}-(2-methylquinolin-8-yl)-4-propan-2-yloxy-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1C(=O)Nc2cccc3ccc(C)nc23)OC(C)C
InChI	InChI	1.03	InChI=1S/C20H20N2O2/c1-13(2)24-17-11-9-16(10-12-17)20(23)22-18-6-4-5-15-8-7-14(3)21-19(15)18/h4-13H,1-3H3,(H,22,23)
InChIKey	InChI	1.03	GVGVYDCVFBGALZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)Oc1ccc(cc1)C(=O)Nc2cccc3ccc(C)nc23
SMILES	CACTVS	3.385	CC(C)Oc1ccc(cc1)C(=O)Nc2cccc3ccc(C)nc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc2cccc(c2n1)NC(=O)c3ccc(cc3)OC(C)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc2cccc(c2n1)NC(=O)c3ccc(cc3)OC(C)C

262513

PDB entries from 2026-11-04

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