ChemDB: Chemical Search
Download
Chemical ID: 7462474
Chemical ID:
7462474
Name [?]:
diethyl-[3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)carbonylamino]propyl]ammonium
SMILES [?]:
CC[NH+](CC)CCCNC(=O)c1c(c2cc(c(cc2[nH]c1=O)OC)OC)O
InChi [?]:
InChI=1/C19H27N3O5/c1-5-22(6-2)9-7-8-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,26,24,2,4,7,8,6,15,18,14,19,16,17,12,13,10,21,9,20,3,27,11,22,25,23/E:(1,2)(5,6)/rA:27nCCN+CCCCCNCOCCCCCCCCNCOOCOCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;d21;s17;s23;s16;s25;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N3O5+ |
All Atoms: | 55 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.8758 |
Area: | 620.167 |
Solvation: | -37.38 |
Coulombic: | -39.4696 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 378.443 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.53 |
LogP (Chemaxon): | -1.34 |
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 |
---|