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Chemical ID: 5146616
Chemical ID:
5146616
Name [?]:
8-ethyl-2-(p-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
CCc1cccc2c1nc(cc2C(=O)O)c3ccc(cc3)C
InChi [?]:
InChI=1/C19H17NO2/c1-3-13-5-4-6-15-16(19(21)22)11-17(20-18(13)15)14-9-7-12(2)8-10-14/h4-11H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,5,4,6,18,20,17,21,11,19,3,16,7,12,10,8,13,9,14,15/E:(7,8)(9,10)(21,22)/rA:22nCCCCCCCCNCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;s12;d13;s13;s10;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2646 |
Area: | 486.152 |
Solvation: | -1.8892 |
Coulombic: | -35.5637 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.9 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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