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

A1A18

Summary

Name:	{[6-fluoro-1-methyl-7-(morpholin-4-yl)-2-oxo-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid
Formula:	C15 H18 F N2 O5 P
Formal charge:	0
Formula weight:	356.286 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	{[6-fluoro-1-methyl-7-(morpholin-4-yl)-2-oxo-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid
OpenEye OEToolkits	2.0.7	(6-fluoranyl-1-methyl-7-morpholin-4-yl-2-oxidanylidene-quinolin-4-yl)methylphosphonic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)CC1=CC(=O)N(C)c2cc(c(F)cc21)N1CCOCC1
InChI	InChI	1.06	InChI=1S/C15H18FN2O5P/c1-17-13-8-14(18-2-4-23-5-3-18)12(16)7-11(13)10(6-15(17)19)9-24(20,21)22/h6-8H,2-5,9H2,1H3,(H2,20,21,22)
InChIKey	InChI	1.06	VZPBNFNEPRZCKJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C(=O)C=C(C[P](O)(O)=O)c2cc(F)c(cc12)N3CCOCC3
SMILES	CACTVS	3.385	CN1C(=O)C=C(C[P](O)(O)=O)c2cc(F)c(cc12)N3CCOCC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1c2cc(c(cc2C(=CC1=O)CP(=O)(O)O)F)N3CCOCC3
SMILES	OpenEye OEToolkits	2.0.7	CN1c2cc(c(cc2C(=CC1=O)CP(=O)(O)O)F)N3CCOCC3

250359

PDB entries from 2026-03-11

PDB statistics

PDBj update info

Contact PDBj

numon