Chemical ID: 5219375

Cc1cc(c2ccc(cc2n1)N)NCCCCCCNc3cc(nc4c3ccc(c4)N)C
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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