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Chemical ID: 4159460
Chemical ID:
4159460
Name [?]:
ethyl 7-chloro-4-(4-ethylpiperazin-1-yl)-8-methyl-quinoline-3-carboxylate
SMILES [?]:
CCN1CCN(CC1)c2c3ccc(c(c3ncc2C(=O)OCC)C)Cl
InChi [?]:
InChI=1/C19H24ClN3O2/c1-4-22-8-10-23(11-9-22)18-14-6-7-16(20)13(3)17(14)21-12-15(18)19(24)25-5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,2,22,11,12,4,8,5,7,17,14,10,18,13,15,9,19,25,16,3,6,20,21/E:(8,9)(10,11)/rA:25nCCNCCNCCCCCCCCCNCCCOOCCCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s18;d19;s19;s21;s22;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3158 |
Area: | 557.449 |
Solvation: | -2.62046 |
Coulombic: | -36.4189 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.866 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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