ChemDB: Chemical Search
Download
Chemical ID: 4160082
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|