Chemical ID: 6466206

c1ccc(cc1)C2CC3=C(C(C(=C(N3N4CCOCC4)N)C#N)c5ccccc5)C(=O)C2
Chemical ID:
6466206
Name [?]:
2-amino-1-morpholino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES [?]:
c1ccc(cc1)C2CC3=C(C(C(=C(N3N4CCOCC4)N)C#N)c5ccccc5)C(=O)C2
InChi [?]:
InChI=1/C26H26N4O2/c27-17-21-24(19-9-5-2-6-10-19)25-22(30(26(21)28)29-11-13-32-14-12-29)15-20(16-23(25)31)18-7-3-1-4-8-18/h1-10,20,24H,11-16,28H2
InChi Info:
AuxInfo=1/0/N:1,27,2,6,26,28,3,5,25,29,16,20,17,19,8,32,22,4,24,7,12,9,30,11,10,13,23,21,15,14,31,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32cCCCCCCCCCCCCCNNCCOCCNCNCCCCCCCOC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s11;d12;s9s13;s14;s15;s16;s17;s18;s15s19;s13;s12;t22;s11;s24;d25;s26;d27;d24s28;s10;d30;s7s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N4O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:10.3879
Area:608.622
Solvation:-4.82761
Coulombic:-41.5085
Bond Count [?]
All:36
Single:26
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:426.51
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.97
LogP (Chemaxon):2.39

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