Chemical ID: 4739184

CCOC(=O)c1cnc2c(c1N3CCOCC3)cc(cc2F)F
Chemical ID:
4739184
Name [?]:
ethyl 6,8-difluoro-4-morpholino-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(c1N3CCOCC3)cc(cc2F)F
InChi [?]:
InChI=1/C16H16F2N2O3/c1-2-23-16(21)12-9-19-14-11(7-10(17)8-13(14)18)15(12)20-3-5-22-6-4-20/h7-9H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,17,14,16,18,20,7,19,10,6,21,9,11,4,23,22,8,12,5,15,3/E:(3,4)(5,6)/rA:23nCCOCOCCNCCCNCCOCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;s14;s15;s12s16;d10;s18;d19;d9s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16F2N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.30944
Area:472.372
Solvation:-5.49986
Coulombic:-44.4383
Bond Count [?]
All:25
Single:19
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.307
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.61
LogP (Chemaxon):2.23

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue