Chemical ID: 4159460

CCN1CCN(CC1)c2c3ccc(c(c3ncc2C(=O)OCC)C)Cl
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

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Descriptor Annotations

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