Chemical ID: 6921131

Cc1cc(c2c(c1)c(cc(n2)c3cccc(c3)OCC(C)C)C(=O)O)C
Chemical ID:
6921131
Name [?]:
2-(3-isobutoxyphenyl)-6,8-dimethyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cc(c2c(c1)c(cc(n2)c3cccc(c3)OCC(C)C)C(=O)O)C
InChi [?]:
InChI=1/C22H23NO3/c1-13(2)12-26-17-7-5-6-16(10-17)20-11-19(22(24)25)18-9-14(3)8-15(4)21(18)23-20/h5-11,13H,12H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:21,22,1,26,14,13,15,3,7,17,9,19,20,2,4,12,16,6,8,10,5,23,11,24,25,18/E:(1,2)(24,25)/rA:26nCCCCCCCCCCNCCCCCCOCCCCCOOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s16;s18;s19;s20;s20;s8;d23;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO3
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3007
Area:578.237
Solvation:-3.15527
Coulombic:-42.3773
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.423
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.42
LogP (Chemaxon):5.63

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Descriptor Annotations

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