Chemical ID: 3945793

Cc1cc(c2c(c1)cc(c(n2)NCCCNC(=O)c3cc(c(c(c3)OC)OC)OC)C#N)C
Chemical ID:
3945793
Name [?]:
N-[3-[(3-cyano-6,8-dimethyl-2-quinolyl)amino]propyl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
Cc1cc(c2c(c1)cc(c(n2)NCCCNC(=O)c3cc(c(c(c3)OC)OC)OC)C#N)C
InChi [?]:
InChI=1/C25H28N4O4/c1-15-9-16(2)22-17(10-15)11-19(14-26)24(29-22)27-7-6-8-28-25(30)18-12-20(31-3)23(33-5)21(13-18)32-4/h9-13H,6-8H2,1-5H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,33,26,30,28,14,13,15,3,7,8,24,20,31,2,4,6,19,9,23,21,5,22,10,17,32,12,16,11,18,25,29,27/E:(3,4)(12,13)(20,21)(31,32)/rA:33nCCCCCCCCCCNNCCCNCOCCCCCCOCOCOCCNC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s21;s29;s9;t31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N4O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.8073
Area:727.94
Solvation:-7.39121
Coulombic:-63.563
Bond Count [?]
All:35
Single:25
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:448.514
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.23
LogP (Chemaxon):3.22

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Descriptor Annotations

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