7SX

[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid

Created: 2018-04-17
Last modified:  2019-04-17

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count33
Aromatic Bond Count6
2D diagram of 7SX

Chemical Component Summary

Name[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)(5,7-dimethyl-2-oxidanylidene-1~{H}-quinolin-4-yl)methylphosphonic acid
FormulaC12 H14 N O4 P
Molecular Weight267.218
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Cc1cc2c(c(c1)C)C(CP(O)(O)=O)=CC(=O)N2
SMILESCACTVS3.385Cc1cc(C)c2C(=CC(=O)Nc2c1)C[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.6Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C
Canonical SMILESCACTVS3.385 Cc1cc(C)c2C(=CC(=O)Nc2c1)C[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C
InChIInChI1.03 InChI=1S/C12H14NO4P/c1-7-3-8(2)12-9(6-18(15,16)17)5-11(14)13-10(12)4-7/h3-5H,6H2,1-2H3,(H,13,14)(H2,15,16,17)
InChIKeyInChI1.03 HMRCSSLTJXSSFR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 130427308