ChemDB: Chemical Search
Download
Chemical ID: 7461524
Chemical ID:
7461524
Name [?]:
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,4-dimethoxybenzoate
SMILES [?]:
Cc1ccc2cc(c(=O)[nH]c2c1)COC(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C20H19NO5/c1-12-4-5-13-9-15(19(22)21-16(13)8-12)11-26-20(23)14-6-7-17(24-2)18(10-14)25-3/h4-10H,11H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,3,4,18,19,12,6,22,13,2,5,17,7,11,20,21,8,15,10,9,16,25,23,14/rA:26nCCCCCCCCONCCCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s7;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO5 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49857 |
Area: | 568.632 |
Solvation: | -5.71722 |
Coulombic: | -55.4696 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.369 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.81 |
LogP (Chemaxon): | 3.22 |
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 |
---|