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Chemical ID: 4566727
Chemical ID:
4566727
Name [?]:
4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILES [?]:
COc1ccccc1CNC(=O)c2c(c3cc(c(cc3[nH]c2=O)OC)OC)O
InChi [?]:
InChI=1/C20H20N2O6/c1-26-14-7-5-4-6-11(14)10-21-19(24)17-18(23)12-8-15(27-2)16(28-3)9-13(12)22-20(17)25/h4-9H,10H2,1-3H3,(H,21,24)(H2,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,25,6,5,7,4,16,19,9,8,15,20,3,17,18,13,14,11,22,10,21,28,12,23,2,26,24/rA:28nCOCCCCCCCNCOCCCCCCCCNCOOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s18;s24;s17;s26;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O6 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.94012 |
Area: | 593.336 |
Solvation: | -7.89328 |
Coulombic: | -78.1088 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 384.383 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.1 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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