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Chemical ID: 4643100
Chemical ID:
4643100
Name [?]:
ethyl 1-[(2-phenyl-4-quinolyl)carbonyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)c2cc(nc3c2cccc3)c4ccccc4
InChi [?]:
InChI=1/C24H24N2O3/c1-2-29-24(28)18-12-14-26(15-13-18)23(27)20-16-22(17-8-4-3-5-9-17)25-21-11-7-6-10-19(20)21/h3-11,16,18H,2,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,27,26,28,21,22,25,29,20,23,7,11,8,10,15,24,6,19,14,18,16,12,4,17,9,13,5,3/E:(4,5)(8,9)(12,13)(14,15)/rA:29nCCOCOCCCNCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s16;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0366 |
Area: | 616.74 |
Solvation: | -3.38188 |
Coulombic: | -43.0719 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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