Chemical ID: 6330128

Cc1ccc2c(c1)c(cc(n2)c3cccc(c3)OC(C)C)C(=O)O
Chemical ID:
6330128
Name [?]:
2-(3-isopropoxyphenyl)-6-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)c3cccc(c3)OC(C)C)C(=O)O
InChi [?]:
InChI=1/C20H19NO3/c1-12(2)24-15-6-4-5-14(10-15)19-11-17(20(22)23)16-9-13(3)7-8-18(16)21-19/h4-12H,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:20,21,1,14,13,15,3,4,7,17,9,19,2,12,16,6,8,5,10,22,11,23,24,18/E:(1,2)(22,23)/rA:24nCCCCCCCCCCNCCCCCCOCCCCOO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s16;s18;s19;s19;s8;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3212
Area:532.575
Solvation:-2.9932
Coulombic:-42.135
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.37
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.0
LogP (Chemaxon):4.71

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