Chemical ID: 7196882

Cc1c(cn(n1)C)c2cc(c3ccccc3n2)C(=O)[O-]
Chemical ID:
7196882
Name [?]:
2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylate
SMILES [?]:
Cc1c(cn(n1)C)c2cc(c3ccccc3n2)C(=O)[O-]
InChi [?]:
InChI=1/C15H13N3O2/c1-9-12(8-18(2)17-9)14-7-11(15(19)20)10-5-3-4-6-13(10)16-14/h3-8H,1-2H3,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,13,14,12,15,9,4,2,11,10,3,16,8,18,17,6,5,19,20/E:(19,20)/rA:20nCCCCNNCCCCCCCCCCNCOO-/rB:s1;s2;d3;s4;d2s5;s5;s3;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N3O2-
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-30.1265
Area:442.026
Solvation:-41.1772
Coulombic:-12.3673
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.275
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.92
LogP (Chemaxon):1.93

Name Annotations

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Descriptor Annotations

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