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A1A25

Summary
Name:{[1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid
Formula:C15 H19 N2 O4 P
Formal charge:0
Formula weight:322.296 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52{[1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid
OpenEye OEToolkits2.0.7(1-methyl-2-oxidanylidene-7-pyrrolidin-1-yl-quinolin-4-yl)methylphosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=P(O)(O)CC1=CC(=O)N(C)c2cc(ccc21)N1CCCC1
InChIInChI1.06InChI=1S/C15H19N2O4P/c1-16-14-9-12(17-6-2-3-7-17)4-5-13(14)11(8-15(16)18)10-22(19,20)21/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,19,20,21)
InChIKeyInChI1.06MYCGEILGNLHVHI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)C=C(C[P](O)(O)=O)c2ccc(cc12)N3CCCC3
SMILESCACTVS3.385CN1C(=O)C=C(C[P](O)(O)=O)c2ccc(cc12)N3CCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1c2cc(ccc2C(=CC1=O)CP(=O)(O)O)N3CCCC3
SMILESOpenEye OEToolkits2.0.7CN1c2cc(ccc2C(=CC1=O)CP(=O)(O)O)N3CCCC3

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PDB entries from 2026-01-21

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