Chemical ID: 4159431

CCOC(=O)c1cnc2c(c1Nc3ccc(cc3)F)cccc2C(F)(F)F
Chemical ID:
4159431
Name [?]:
ethyl 4-(4-fluorophenyl)amino-8-(trifluoromethyl)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(c1Nc3ccc(cc3)F)cccc2C(F)(F)F
InChi [?]:
InChI=1/C19H14F4N2O2/c1-2-27-18(26)14-10-24-17-13(4-3-5-15(17)19(21,22)23)16(14)25-12-8-6-11(20)7-9-12/h3-10H,2H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,15,17,14,18,7,16,13,10,6,23,11,9,4,24,19,25,26,27,8,12,5,3/E:(6,7)(8,9)(21,22,23)/rA:27nCCOCOCCNCCCNCCCCCCFCCCCCFFF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;s16;d10;s20;d21;d9s22;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14F4N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.37099
Area:531.197
Solvation:-3.90894
Coulombic:-58.4823
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.32
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.21
LogP (Chemaxon):4.95

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Descriptor Annotations

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