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

NQR

Summary

Name:	(4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone
Formula:	C18 H18 N2 O2
Formal charge:	0
Formula weight:	294.348 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone
OpenEye OEToolkits	2.0.7	(4-methylfuro[3,2-c]quinolin-2-yl)-piperidin-1-yl-methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1
InChI	InChI	1.03	InChI=1S/C18H18N2O2/c1-12-14-11-16(18(21)20-9-5-2-6-10-20)22-17(14)13-7-3-4-8-15(13)19-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKey	InChI	1.03	CKBASHMUSIQRHS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nc2ccccc2c3oc(cc13)C(=O)N4CCCCC4
SMILES	CACTVS	3.385	Cc1nc2ccccc2c3oc(cc13)C(=O)N4CCCCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c2cc(oc2c3ccccc3n1)C(=O)N4CCCCC4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c2cc(oc2c3ccccc3n1)C(=O)N4CCCCC4

223532

數據於2024-08-07公開中

PDB statistics

PDBj update info

Contact PDBj

numon