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Chemical ID: 4588125
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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