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Chemical ID: 7122813
Chemical ID:
7122813
Name [?]:
8-methyl-2-(4-propylphenyl)-quinoline-4-carboxylate
SMILES [?]:
CCCc1ccc(cc1)c2cc(c3cccc(c3n2)C)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-3-5-14-8-10-15(11-9-14)18-12-17(20(22)23)16-7-4-6-13(2)19(16)21-18/h4,6-12H,3,5H2,1-2H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,20,2,15,3,16,14,5,9,6,8,11,17,4,7,13,12,10,18,21,19,22,23/E:(8,9)(10,11)(22,23)/rA:23nCCCCCCCCCCCCCCCCCCNCCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s17;s12;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18NO2- |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -28.3687 |
Area: | 513.71 |
Solvation: | -41.2115 |
Coulombic: | -10.6422 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.98 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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