Chemical ID: 7086366

Cc1cc(c2c(c1)c(c(c(n2)c3ccc(cc3)OC)C)C(=O)O)C
Chemical ID:
7086366
Name [?]:
2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cc(c2c(c1)c(c(c(n2)c3ccc(cc3)OC)C)C(=O)O)C
InChi [?]:
InChI=1/C20H19NO3/c1-11-9-12(2)18-16(10-11)17(20(22)23)13(3)19(21-18)14-5-7-15(24-4)8-6-14/h5-10H,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,20,19,13,17,14,16,3,7,2,4,9,12,15,6,8,5,10,21,11,22,23,18/E:(5,6)(7,8)(22,23)/rA:24nCCCCCCCCCCNCCCCCCOCCCOOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s9;s8;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.64963
Area:520.01
Solvation:-3.35063
Coulombic:-41.2359
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.37
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):4.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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