Chemical ID: 6420291

Cc1cc(nc(n1)C)Nc2ccc(cc2)N=Nc3ccc(c4c3cccn4)O
Chemical ID:
6420291
Name [?]:
5-[4-(2,6-dimethylpyrimidin-4-yl)aminophenyl]azoquinolin-8-ol
SMILES [?]:
Cc1cc(nc(n1)C)Nc2ccc(cc2)N=Nc3ccc(c4c3cccn4)O
InChi [?]:
InChI=1/C21H18N6O/c1-13-12-20(24-14(2)23-13)25-15-5-7-16(8-6-15)26-27-18-9-10-19(28)21-17(18)4-3-11-22-21/h3-12,28H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,11,15,12,14,19,20,26,3,2,6,10,13,23,18,21,4,22,27,7,5,9,16,17,28/E:(5,6)(7,8)/rA:28nCCCCNCNCNCCCCCCNNCCCCCCCCCNO/rB:s1;s2;d3;s4;d5;d2s6;s6;s4;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N6O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.2569
Area:572.818
Solvation:-4.06351
Coulombic:-45.3305
Bond Count [?]
All:31
Single:19
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:370.407
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.11
LogP (Chemaxon):4.94

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