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Chemical ID: 6621653
Chemical ID:
6621653
Name [?]:
N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2c(c3ccccc3[nH]c2=O)O)C
InChi [?]:
InChI=1/C18H16N2O3/c1-10-7-8-11(2)14(9-10)20-18(23)15-16(21)12-5-3-4-6-13(12)19-17(15)22/h3-9H,1-2H3,(H,20,23)(H2,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,15,16,14,17,3,4,7,2,5,13,18,6,11,12,20,9,19,8,22,21,10/rA:23nCCCCCCCNCOCCCCCCCCNCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s12;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2485 |
Area: | 494.048 |
Solvation: | -3.10269 |
Coulombic: | -58.4406 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 308.331 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.14 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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