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Chemical ID: 4160079
Chemical ID:
4160079
Name [?]:
ethyl 6-fluoro-4-(p-tolylamino)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccc(cc2c1Nc3ccc(cc3)C)F
InChi [?]:
InChI=1/C19H17FN2O2/c1-3-24-19(23)16-11-21-17-9-6-13(20)10-15(17)18(16)22-14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,19,21,11,18,22,10,13,7,20,12,17,14,6,9,15,4,24,8,16,5,3/E:(4,5)(7,8)/rA:24nCCOCOCCNCCCCCCCNCCCCCCCF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85269 |
Area: | 517.185 |
Solvation: | -3.07694 |
Coulombic: | -40.0813 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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