Chemical ID: 7461524

Cc1ccc2cc(c(=O)[nH]c2c1)COC(=O)c3ccc(c(c3)OC)OC
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.

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