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Chemical ID: 4181566
Chemical ID:
4181566
Name [?]:
4-methyl-2-[4-(2-pyridyl)piperazin-1-yl]-quinoline
SMILES [?]:
Cc1cc(nc2c1cccc2)N3CCN(CC3)c4ccccn4
InChi [?]:
InChI=1/C19H20N4/c1-15-14-19(21-17-7-3-2-6-16(15)17)23-12-10-22(11-13-23)18-8-4-5-9-20-18/h2-9,14H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,20,21,8,11,19,22,14,16,13,17,3,2,7,6,18,4,23,5,15,12/E:(10,11)(12,13)/rA:23nCCCCNCCCCCCNCCNCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s4;s12;s13;s14;s15;s12s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85684 |
Area: | 498.268 |
Solvation: | -2.59987 |
Coulombic: | -25.19 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 304.389 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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