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Chemical ID: 7122382
Chemical ID:
7122382
Name [?]:
2-(2,5-dimethylphenyl)-3-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc(c(c1)c2c(c(c3ccccc3n2)C(=O)[O-])C)C
InChi [?]:
InChI=1/C19H17NO2/c1-11-8-9-12(2)15(10-11)18-13(3)17(19(21)22)14-6-4-5-7-16(14)20-18/h4-10H,1-3H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,22,21,13,14,12,15,3,4,7,2,5,9,11,6,16,10,8,18,17,19,20/E:(21,22)/rA:22nCCCCCCCCCCCCCCCCNCOO-CC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;s9;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16NO2- |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.6858 |
Area: | 475.919 |
Solvation: | -42.5838 |
Coulombic: | -8.93561 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.336 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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