Chemical ID: 4395947

CCOc1ccc2c(c1)c(c(cn2)C(=O)OCC)NCCc3ccccc3
Chemical ID:
4395947
Name [?]:
ethyl 6-ethoxy-4-phenethylamino-quinoline-3-carboxylate
SMILES [?]:
CCOc1ccc2c(c1)c(c(cn2)C(=O)OCC)NCCc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.355
Area:606.815
Solvation:-3.81536
Coulombic:-44.6506
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:364.438
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.76
LogP (Chemaxon):4.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue