Chemical ID: 7122746

Cc1ccc2c(c1)c(cc(n2)c3ccc(cc3)C(C)C)C(=O)[O-]
Chemical ID:
7122746
Name [?]:
2-(4-isopropylphenyl)-6-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)c3ccc(cc3)C(C)C)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-12(2)14-5-7-15(8-6-14)19-11-17(20(22)23)16-10-13(3)4-9-18(16)21-19/h4-12H,1-3H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:19,20,1,3,14,16,13,17,4,7,9,18,2,15,12,6,8,5,10,21,11,22,23/E:(1,2)(5,6)(7,8)(22,23)/rA:23nCCCCCCCCCCNCCCCCCCCCCOO-/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;s8;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18NO2-
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-28.3619
Area:512.1
Solvation:-41.1644
Coulombic:-10.4182
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:5.13
LogP (Chemaxon):5.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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