Chemical ID: 4224082

Cc1ccc(cc1)c2c(c(c3ccccc3n2)C(=O)O)C
Chemical ID:
4224082
Name [?]:
3-methyl-2-(p-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)c2c(c(c3ccccc3n2)C(=O)O)C
InChi [?]:
InChI=1/C18H15NO2/c1-11-7-9-13(10-8-11)17-12(2)16(18(20)21)14-5-3-4-6-15(14)19-17/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,13,14,12,15,3,7,4,6,2,9,5,11,16,10,8,18,17,19,20/E:(7,8)(9,10)(20,21)/rA:21nCCCCCCCCCCCCCCCCNCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.46819
Area:461.199
Solvation:-2.06178
Coulombic:-35.1198
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.317
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.43
LogP (Chemaxon):4.53

Name Annotations

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Descriptor Annotations

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