Chemical ID: 3945775

CCOc1ccc2c(c1)cc(c(n2)NCCNC(=O)COc3ccccc3)C#N
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

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Descriptor Annotations

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