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Chemical ID: 4567037
Chemical ID:
4567037
Name [?]:
4-hydroxy-6,7-dimethoxy-N-(3-methoxypropyl)-2-oxo-1H-quinoline-3-carboxamide
SMILES [?]:
COCCCNC(=O)c1c(c2cc(c(cc2[nH]c1=O)OC)OC)O
InChi [?]:
InChI=1/C16H20N2O6/c1-22-6-4-5-17-15(20)13-14(19)9-7-11(23-2)12(24-3)8-10(9)18-16(13)21/h7-8H,4-6H2,1-3H3,(H,17,20)(H2,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,21,4,5,3,12,15,11,16,13,14,9,10,7,18,6,17,24,8,19,2,22,20/rA:24nCOCCCNCOCCCCCCCCNCOOCOCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;d12;s13;d14;d11s15;s16;s9s17;d18;s14;s20;s13;s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O6 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.88553 |
Area: | 556.99 |
Solvation: | -8.03922 |
Coulombic: | -77.3604 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 336.34 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.64 |
LogP (Chemaxon): | 0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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