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Chemical ID: 4567062
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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