Chemical ID: 4154139

CCOC(=O)c1cnc2c(c1N3CCN(CC3)C)ccc(c2Cl)Cl
Chemical ID:
4154139
Name [?]:
ethyl 7,8-dichloro-4-(4-methylpiperazin-1-yl)-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(c1N3CCN(CC3)C)ccc(c2Cl)Cl
InChi [?]:
InChI=1/C17H19Cl2N3O2/c1-3-24-17(23)12-10-20-15-11(4-5-13(18)14(15)19)16(12)22-8-6-21(2)7-9-22/h4-5,10H,3,6-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,19,20,14,16,13,17,7,10,6,21,22,9,11,4,24,23,8,15,12,5,3/E:(6,7)(8,9)/rA:24nCCOCOCCNCCCNCCNCCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;s14;s15;s12s16;s15;d10;s19;d20;d9s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19Cl2N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7064
Area:542.285
Solvation:-2.85076
Coulombic:-36.3053
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:368.257
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.58
LogP (Chemaxon):3.13

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Descriptor Annotations

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