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Chemical ID: 6466206
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
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Experimental Annotations
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Descriptor Annotations
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