Chemical ID: 4567037

COCCCNC(=O)c1c(c2cc(c(cc2[nH]c1=O)OC)OC)O
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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