UVQ

4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde

Created: 2021-03-23
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count12
2D diagram of UVQ

Chemical Component Summary

Name4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
Systematic Name (OpenEye OEToolkits)4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
FormulaC16 H14 F N O3 S
Molecular Weight319.351
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F
Canonical SMILESCACTVS3.385 Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F
InChIInChI1.03 InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2
InChIKeyInChI1.03 HFGLWYIDQNXWJN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155923743