Chemical ID: 4157594

CCN1CCN(CC1)c2c3ccc(c(c3ncc2C(=O)OCC)Cl)Cl
Chemical ID:
4157594
Name [?]:
ethyl 7,8-dichloro-4-(4-ethylpiperazin-1-yl)-quinoline-3-carboxylate
SMILES [?]:
CCN1CCN(CC1)c2c3ccc(c(c3ncc2C(=O)OCC)Cl)Cl
InChi [?]:
InChI=1/C18H21Cl2N3O2/c1-3-22-7-9-23(10-8-22)17-12-5-6-14(19)15(20)16(12)21-11-13(17)18(24)25-4-2/h5-6,11H,3-4,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,22,11,12,4,8,5,7,17,10,18,13,14,15,9,19,25,24,16,3,6,20,21/E:(7,8)(9,10)/rA:25nCCNCCNCCCCCCCCCNCCCOOCCClCl/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:C18H21Cl2N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3417
Area:565.854
Solvation:-2.8047
Coulombic:-36.4887
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:382.284
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.0
LogP (Chemaxon):3.47

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Descriptor Annotations

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