Chemical ID: 4348799

CC(C)COc1cccc(c1)c2cc(c3ccccc3n2)C(=O)O
Chemical ID:
4348799
Name [?]:
2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid
SMILES [?]:
CC(C)COc1cccc(c1)c2cc(c3ccccc3n2)C(=O)O
InChi [?]:
InChI=1/C20H19NO3/c1-13(2)12-24-15-7-5-6-14(10-15)19-11-17(20(22)23)16-8-3-4-9-18(16)21-19/h3-11,13H,12H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,8,9,7,16,19,11,13,4,2,10,6,15,14,20,12,22,21,23,24,5/E:(1,2)(22,23)/rA:24nCCCCOCCCCCCCCCCCCCCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3111
Area:541.383
Solvation:-3.22351
Coulombic:-42.6811
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.37
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.76
LogP (Chemaxon):4.7

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Descriptor Annotations

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