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Chemical ID: 7086346
Chemical ID:
7086346
Name [?]:
3,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)c2c(c(c3cccc(c3n2)C)C(=O)O)C
InChi [?]:
InChI=1/C19H17NO2/c1-11-7-9-14(10-8-11)18-13(3)16(19(21)22)15-6-4-5-12(2)17(15)20-18/h4-10H,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,22,13,14,12,3,7,4,6,2,15,9,5,11,10,16,8,19,17,20,21/E:(7,8)(9,10)(21,22)/rA:22nCCCCCCCCCCCCCCCCNCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s15;s10;d19;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97591 |
Area: | 480.208 |
Solvation: | -2.0293 |
Coulombic: | -35.04 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 291.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.66 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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