Chemical ID: 7386403

Cc1cccc2c1nc(c(c2)CN(CCOC)C(=O)c3ccccc3)O
Chemical ID:
7386403
Name [?]:
N-[(2-hydroxy-8-methyl-3-quinolyl)methyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
Cc1cccc2c1nc(c(c2)CN(CCOC)C(=O)c3ccccc3)O
InChi [?]:
InChI=1/C21H22N2O3/c1-15-7-6-10-17-13-18(20(24)22-19(15)17)14-23(11-12-26-2)21(25)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,23,22,24,4,3,21,25,5,14,15,11,12,2,20,6,10,7,9,18,8,13,26,19,16/E:(4,5)(8,9)/rA:26nCCCCCCCNCCCCNCCOCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s10;s12;s13;s14;s15;s16;s13;d18;s18;s20;d21;s22;d23;d20s24;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O3
All Atoms:48
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.38796
Area:547.36
Solvation:-4.29603
Coulombic:-49.504
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.411
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.74
LogP (Chemaxon):3.77

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