ChemDB: Chemical Search
Download
Chemical ID: 3945775
Chemical ID:
3945775
Name [?]:
N-[2-[(3-cyano-6-ethoxy-2-quinolyl)amino]ethyl]-2-phenoxy-acetamide
SMILES [?]:
CCOc1ccc2c(c1)cc(c(n2)NCCNC(=O)COc3ccccc3)C#N
InChi [?]:
InChI=1/C22H22N4O3/c1-2-28-19-8-9-20-16(13-19)12-17(14-23)22(26-20)25-11-10-24-21(27)15-29-18-6-4-3-5-7-18/h3-9,12-13H,2,10-11,15H2,1H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,27,5,6,16,15,10,9,28,20,8,11,22,4,7,18,12,29,17,14,13,19,3,21/E:(4,5)(6,7)/rA:29nCCOCCCCCCCCCNNCCNCOCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;d4s8;d8;s10;d11;d7s12;s12;s14;s15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s11;t28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N4O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4396 |
Area: | 666.825 |
Solvation: | -6.231 |
Coulombic: | -56.648 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.435 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.89 |
LogP (Chemaxon): | 2.85 |
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 |
---|