Chemical ID: 4588125

c1ccc(c(c1)C#N)NC(=O)c2c(c3ccccc3[nH]c2=O)O
Chemical ID:
4588125
Name [?]:
N-(2-cyanophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)c2c(c3ccccc3[nH]c2=O)O
InChi [?]:
InChI=1/C17H11N3O3/c18-9-10-5-1-3-7-12(10)19-16(22)14-15(21)11-6-2-4-8-13(11)20-17(14)23/h1-8H,(H,19,22)(H2,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,2,17,6,15,3,18,7,5,14,4,19,12,13,10,21,8,9,20,23,11,22/rA:23nCCCCCCCNNCOCCCCCCCCNCOO/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;d21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.74667
Area:486.889
Solvation:-3.42554
Coulombic:-61.772
Bond Count [?]
All:25
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.288
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.63
LogP (Chemaxon):2.52

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