Chemical ID: 4160079

CCOC(=O)c1cnc2ccc(cc2c1Nc3ccc(cc3)C)F
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

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Descriptor Annotations

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