Chemical ID: 6718087

Cc1ccc(c(c1)C)c2cc(c3cc(cc(c3n2)C)C)C(=O)[O-]
Chemical ID:
6718087
Name [?]:
2-(2,4-dimethylphenyl)-6,8-dimethyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc(c(c1)C)c2cc(c3cc(cc(c3n2)C)C)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-11-5-6-15(13(3)7-11)18-10-17(20(22)23)16-9-12(2)8-14(4)19(16)21-18/h5-10H,1-4H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,20,8,19,3,4,7,15,13,10,2,14,6,16,5,12,11,9,17,21,18,22,23/E:(22,23)/rA:23nCCCCCCCCCCCCCCCCCNCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s16;s14;s11;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18NO2-
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-28.8405
Area:499.191
Solvation:-41.3202
Coulombic:-9.38863
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:304.362
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.82
LogP (Chemaxon):5.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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