Chemical ID: 4159426

CCOC(=O)c1cnc2c(c1Nc3ccccc3)cccc2C(F)(F)F
Chemical ID:
4159426
Name [?]:
ethyl 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(c1Nc3ccccc3)cccc2C(F)(F)F
InChi [?]:
InChI=1/C19H15F3N2O2/c1-2-26-18(25)14-11-23-17-13(9-6-10-15(17)19(20,21)22)16(14)24-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,20,14,18,19,21,7,13,10,6,22,11,9,4,23,24,25,26,8,12,5,3/E:(4,5)(7,8)(20,21,22)/rA:26nCCOCOCCNCCCNCCCCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;d10;s19;d20;d9s21;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15F3N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.112
Area:526.438
Solvation:-3.04892
Coulombic:-55.6303
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.33
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.05
LogP (Chemaxon):4.81

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Descriptor Annotations

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