Chemical ID: 4567062

COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NCCN3CCCCC3
Chemical ID:
4567062
Name [?]:
4-hydroxy-6,7-dimethoxy-2-oxo-N-[2-(1-piperidyl)ethyl]-1H-quinoline-3-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NCCN3CCCCC3
InChi [?]:
InChI=1/C19H25N3O5/c1-26-14-10-12-13(11-15(14)27-2)21-19(25)16(17(12)23)18(24)20-6-9-22-7-4-3-5-8-22/h10-11H,3-9H2,1-2H3,(H,20,24)(H2,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,10,25,24,26,20,23,27,21,4,7,5,6,3,8,14,15,17,12,19,11,22,16,18,13,2,9/E:(4,5)(7,8)/rA:27nCOCCCCCCOCNCOCCOCONCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s5d14;s15;s14;d17;s17;s19;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.94248
Area:594.575
Solvation:-6.9219
Coulombic:-74.9558
Bond Count [?]
All:29
Single:23
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.419
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.19
LogP (Chemaxon):-0.65

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Descriptor Annotations

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