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Chemical ID: 7147616
Chemical ID:
7147616
Name [?]:
2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate
SMILES [?]:
CCc1ccc(cc1)c2cc(c3cccc(c3n2)C)C(=O)[O-]
InChi [?]:
InChI=1/C19H17NO2/c1-3-13-7-9-14(10-8-13)17-11-16(19(21)22)15-6-4-5-12(2)18(15)20-17/h4-11H,3H2,1-2H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,19,2,14,15,13,4,8,5,7,10,16,3,6,12,11,9,17,20,18,21,22/E:(7,8)(9,10)(21,22)/rA:22nCCCCCCCCCCCCCCCCCNCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s16;s11;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16NO2- |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -28.8528 |
Area: | 487.876 |
Solvation: | -41.0497 |
Coulombic: | -10.3007 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 290.336 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.41 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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