Chemical ID: 4160082

CCOC(=O)c1cnc2ccc(cc2c1Nc3cccc4c3cccc4)F
Chemical ID:
4160082
Name [?]:
ethyl 6-fluoro-4-(1-naphthylamino)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccc(cc2c1Nc3cccc4c3cccc4)F
InChi [?]:
InChI=1/C22H17FN2O2/c1-2-27-22(26)18-13-24-19-11-10-15(23)12-17(19)21(18)25-20-9-5-7-14-6-3-4-8-16(14)20/h3-13H,2H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,19,26,20,23,18,11,10,13,7,21,12,22,14,6,9,17,15,4,27,8,16,5,3/rA:27nCCOCOCCNCCCCCCCNCCCCCCCCCCF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17FN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4259
Area:548.884
Solvation:-3.29617
Coulombic:-41.1641
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.381
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.55
LogP (Chemaxon):5.07

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