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Chemical ID: 5248820
Chemical ID:
5248820
Name [?]:
N-[3-[(6-methoxy-4-quinolyl)methylene]cyclohexyl]acetamide
SMILES [?]:
CC(=O)NC1CCCC(=Cc2ccnc3c2cc(cc3)OC)C1
InChi [?]:
InChI=1/C19H22N2O2/c1-13(22)21-16-5-3-4-14(11-16)10-15-8-9-20-19-7-6-17(23-2)12-18(15)19/h6-10,12,16H,3-5,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,7,8,6,19,20,12,13,10,23,17,2,9,11,5,18,16,15,14,4,3,21/rA:23cCCONCCCCCCCCCNCCCCCCOCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s18;s21;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.14905 |
Area: | 523.456 |
Solvation: | -3.93734 |
Coulombic: | -32.6733 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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