Chemical ID: 6816676

c1ccc2c(c1)c(cc(n2)N3CCN(CC3)c4ccc(cc4)F)C(=O)Nc5ccc(cc5)F
Chemical ID:
6816676
Name [?]:
N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-quinoline-4-carboxamide
SMILES [?]:
c1ccc2c(c1)c(cc(n2)N3CCN(CC3)c4ccc(cc4)F)C(=O)Nc5ccc(cc5)F
InChi [?]:
InChI=1/C26H22F2N4O/c27-18-5-9-20(10-6-18)29-26(33)23-17-25(30-24-4-2-1-3-22(23)24)32-15-13-31(14-16-32)21-11-7-19(28)8-12-21/h1-12,17H,13-16H2,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,29,31,19,21,28,32,18,22,13,15,12,16,8,30,20,27,17,5,7,4,9,24,33,23,26,10,14,11,25/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:33nCCCCCCCCCNNCCNCCCCCCCCFCONCCCCCCF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s20;s7;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22F2N4O
All Atoms:55
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.2096
Area:647.554
Solvation:-4.97923
Coulombic:-48.1381
Bond Count [?]
All:37
Single:25
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:444.476
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.17
LogP (Chemaxon):6.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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