Chemical ID: 7122814

CCc1ccc(cc1)c2cc(c3cc(cc(c3n2)C)C)C(=O)[O-]
Chemical ID:
7122814
Name [?]:
2-(4-ethylphenyl)-6,8-dimethyl-quinoline-4-carboxylate
SMILES [?]:
CCc1ccc(cc1)c2cc(c3cc(cc(c3n2)C)C)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-4-14-5-7-15(8-6-14)18-11-17(20(22)23)16-10-12(2)9-13(3)19(16)21-18/h5-11H,4H2,1-3H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,20,19,2,4,8,5,7,15,13,10,14,16,3,6,12,11,9,17,21,18,22,23/E:(5,6)(7,8)(22,23)/rA:23nCCCCCCCCCCCCCCCCCNCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s16;s14;s11;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18NO2-
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-28.4683
Area:511.178
Solvation:-41.2477
Coulombic:-9.97876
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.362
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.85
LogP (Chemaxon):5.53

Name Annotations

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Descriptor Annotations

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