ChemDB: Chemical Search
Download
Chemical ID: 7461647
Chemical ID:
7461647
Name [?]:
4-hydroxy-6,7-dimethoxy-2-oxo-N-[3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propyl]-1H-quinoline-3-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NCCC[NH+]3CCCCC3
InChi [?]:
InChI=1/C20H27N3O5/c1-27-15-11-13-14(12-16(15)28-2)22-20(26)17(18(13)24)19(25)21-7-6-10-23-8-4-3-5-9-23/h11-12H,3-10H2,1-2H3,(H,21,25)(H2,22,24,26)/p+1
InChi Info:
AuxInfo=1/1/N:1,10,26,25,27,21,20,24,28,22,4,7,5,6,3,8,14,15,17,12,19,11,23,16,18,13,2,9/E:(4,5)(8,9)/rA:28nCOCCCCCCOCNCOCCOCONCCCN+CCCCC/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;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N3O5+ |
All Atoms: | 56 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.8431 |
Area: | 621.121 |
Solvation: | -37.3711 |
Coulombic: | -39.6665 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.454 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.55 |
LogP (Chemaxon): | -1.23 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|