ChemDB: Chemical Search
Download
Chemical ID: 7200418
Chemical ID:
7200418
Name [?]:
2-(3,4-dimethoxyphenyl)-8-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1cccc2c1nc(cc2C(=O)[O-])c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C19H17NO4/c1-11-5-4-6-13-14(19(21)22)10-15(20-18(11)13)12-7-8-16(23-2)17(9-12)24-3/h4-10H,1-3H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,24,22,4,3,5,16,17,20,10,2,15,6,11,9,18,19,7,12,8,13,14,23,21/E:(21,22)/rA:24nCCCCCCCNCCCCOO-CCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16NO4- |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.656 |
Area: | 507.663 |
Solvation: | -43.3475 |
Coulombic: | -23.868 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.08 |
LogP (Chemaxon): | 3.7 |
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 |
---|