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Chemical ID: 6728814
Chemical ID:
6728814
Name [?]:
1-piperidyl-[2-(1H-pyridin-4-yl)-4-quinolyl]-methanone
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3cc[nH+]cc3)C(=O)N4CCCCC4
InChi [?]:
InChI=1/C20H19N3O/c24-20(23-12-4-1-5-13-23)17-14-19(15-8-10-21-11-9-15)22-18-7-3-2-6-16(17)18/h2-3,6-11,14H,1,4-5,12-13H2/p+1
InChi Info:
AuxInfo=1/1/N:22,1,2,21,23,6,3,12,16,13,15,20,24,8,11,5,7,4,9,17,14,10,19,18/E:(4,5)(8,9)(10,11)(12,13)/rA:24nCCCCCCCCCNCCCN+CCCONCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s7;d17;s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N3O+ |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.4017 |
Area: | 512.083 |
Solvation: | -36.2038 |
Coulombic: | -12.6162 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 318.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.31 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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