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Chemical ID: 7122676
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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