Chemical ID: 7122676

Cc1ccc2c(c1)c(cc(n2)c3cccc(c3)OC)C(=O)[O-]
Chemical ID:
7122676
Name [?]:
2-(3-methoxyphenyl)-6-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)c3cccc(c3)OC)C(=O)[O-]
InChi [?]:
InChI=1/C18H15NO3/c1-11-6-7-16-14(8-11)15(18(20)21)10-17(19-16)12-4-3-5-13(9-12)22-2/h3-10H,1-2H3,(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,19,14,13,15,3,4,7,17,9,2,12,16,6,8,5,10,20,11,21,22,18/E:(20,21)/rA:22nCCCCCCCCCCNCCCCCCOCCOO-/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s16;s18;s8;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14NO3-
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-30.3166
Area:482.962
Solvation:-42.3906
Coulombic:-16.3713
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.309
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.64
LogP (Chemaxon):3.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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