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Chemical ID: 7183047
Chemical ID:
7183047
Name [?]:
2-(4-butylphenyl)quinoline-4-carboxylate
SMILES [?]:
CCCCc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-2-3-6-14-9-11-15(12-10-14)19-13-17(20(22)23)16-7-4-5-8-18(16)21-19/h4-5,7-13H,2-3,6H2,1H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,16,17,4,15,18,6,10,7,9,12,5,8,14,13,19,11,21,20,22,23/E:(9,10)(11,12)(22,23)/rA:23nCCCCCCCCCCCCCCCCCCCNCOO-/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s13;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18NO2- |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -27.956 |
Area: | 522.88 |
Solvation: | -41.028 |
Coulombic: | -11.0896 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.33 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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