Chemical ID: 5146616

CCc1cccc2c1nc(cc2C(=O)O)c3ccc(cc3)C
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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