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Chemical ID: 7122746
Chemical ID:
7122746
Name [?]:
2-(4-isopropylphenyl)-6-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)c3ccc(cc3)C(C)C)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-12(2)14-5-7-15(8-6-14)19-11-17(20(22)23)16-10-13(3)4-9-18(16)21-19/h4-12H,1-3H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:19,20,1,3,14,16,13,17,4,7,9,18,2,15,12,6,8,5,10,21,11,22,23/E:(1,2)(5,6)(7,8)(22,23)/rA:23nCCCCCCCCCCNCCCCCCCCCCOO-/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;s8;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18NO2- |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -28.3619 |
Area: | 512.1 |
Solvation: | -41.1644 |
Coulombic: | -10.4182 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.13 |
LogP (Chemaxon): | 5.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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