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Chemical ID: 7207360
Chemical ID:
7207360
Name [?]:
2-(3-ethoxyphenyl)-N-(1H-pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILES [?]:
CCOc1cccc(c1)c2cc(c3ccccc3n2)C(=O)NCc4cc[nH+]cc4
InChi [?]:
InChI=1/C24H21N3O2/c1-2-29-19-7-5-6-18(14-19)23-15-21(20-8-3-4-9-22(20)27-23)24(28)26-16-17-10-12-25-13-11-17/h3-15H,2,16H2,1H3,(H,26,28)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,15,16,6,7,5,14,17,25,29,26,28,9,11,23,24,8,4,13,12,18,10,20,27,22,19,21,3/E:(10,11)(12,13)/rA:29nCCOCCCCCCCCCCCCCCCNCONCCCCN+CC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s12;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N3O2+ |
All Atoms: | 51 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.9772 |
Area: | 630.829 |
Solvation: | -38.7479 |
Coulombic: | -24.6949 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.35 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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