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Chemical ID: 5147861
Chemical ID:
5147861
Name [?]:
6-ethyl-2-(o-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
CCc1ccc2c(c1)c(cc(n2)c3ccccc3C)C(=O)O
InChi [?]:
InChI=1/C19H17NO2/c1-3-13-8-9-17-15(10-13)16(19(21)22)11-18(20-17)14-7-5-4-6-12(14)2/h4-11H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,2,16,15,17,14,4,5,8,10,18,3,13,7,9,6,11,20,12,21,22/E:(21,22)/rA:22nCCCCCCCCCCCNCCCCCCCCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2275 |
Area: | 485.918 |
Solvation: | -1.92043 |
Coulombic: | -35.4751 |
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: | 5.11 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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