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Chemical ID: 5219375
Chemical ID:
5219375
Name [?]:
N-[6-[(7-amino-2-methyl-4-quinolyl)amino]hexyl]-2-methyl-quinoline-4,7-diamine
SMILES [?]:
Cc1cc(c2ccc(cc2n1)N)NCCCCCCNc3cc(nc4c3ccc(c4)N)C
InChi [?]:
InChI=1/C26H32N6/c1-17-13-23(21-9-7-19(27)15-25(21)31-17)29-11-5-3-4-6-12-30-24-14-18(2)32-26-16-20(28)8-10-22(24)26/h7-10,13-16H,3-6,11-12,27-28H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,32,16,17,15,18,7,28,6,27,14,19,3,22,9,30,2,23,8,29,5,26,4,21,10,25,12,31,13,20,11,24/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)/gE:(1,2)/rA:32nCCCCCCCCCCNNNCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s8;s4;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;s28;s25d29;s29;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.8116 |
Area: | 721.045 |
Solvation: | -3.21449 |
Coulombic: | -66.5381 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 428.573 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 4 |
XLogP: | 2.91 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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