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Chemical ID: 6370452
Chemical ID:
6370452
Name [?]:
2-(m-tolyl)-N-[2-[[2-(m-tolyl)-4-quinolyl]carbonylamino]phenyl]-quinoline-4-carboxamide
SMILES [?]:
Cc1cccc(c1)c2cc(c3ccccc3n2)C(=O)Nc4ccccc4NC(=O)c5cc(nc6c5cccc6)c7cccc(c7)C
InChi [?]:
InChI=1/C40H30N4O2/c1-25-11-9-13-27(21-25)37-23-31(29-15-3-5-17-33(29)41-37)39(45)43-35-19-7-8-20-36(35)44-40(46)32-24-38(28-14-10-12-26(2)22-28)42-34-18-6-4-16-30(32)34/h3-24H,1-2H3,(H,43,45)(H,44,46)
InChi Info:
AuxInfo=1/1/N:1,46,13,37,14,38,23,24,4,42,3,43,5,41,12,36,15,39,22,25,7,45,9,31,2,44,6,40,11,35,10,30,16,34,21,26,8,32,18,28,17,33,20,27,19,29/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)(45,46)/gE:(1,2)/rA:46nCCCCCCCCCCCCCCCCNCONCCCCCCNCOCCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s27;d28;s28;s30;d31;s32;d33;d30s34;s35;d36;s37;s34d38;s32;s40;d41;s42;d43;d40s44;s44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C40H30N4O2 |
All Atoms: | 46 |
Heavy Atoms: | 46 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 17.6493 |
Area: | 871.582 |
Solvation: | -4.14021 |
Coulombic: | -58.38 |
Bond Count [?]
All: | 52 |
Single: | 31 |
Double: | 21 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 598.692 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 9.1 |
LogP (Chemaxon): | 9.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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