Chemical ID: 7122382

Cc1ccc(c(c1)c2c(c(c3ccccc3n2)C(=O)[O-])C)C
Chemical ID:
7122382
Name [?]:
2-(2,5-dimethylphenyl)-3-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc(c(c1)c2c(c(c3ccccc3n2)C(=O)[O-])C)C
InChi [?]:
InChI=1/C19H17NO2/c1-11-8-9-12(2)15(10-11)18-13(3)17(19(21)22)14-6-4-5-7-16(14)20-18/h4-10H,1-3H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,22,21,13,14,12,15,3,4,7,2,5,9,11,6,16,10,8,18,17,19,20/E:(21,22)/rA:22nCCCCCCCCCCCCCCCCNCOO-CC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;s9;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16NO2-
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-30.6858
Area:475.919
Solvation:-42.5838
Coulombic:-8.93561
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.336
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):5.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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