Chemical ID: 4815387

CCOC(=O)c1cnc2c(c1NCCN(C)C)cccc2Cl
Chemical ID:
4815387
Name [?]:
ethyl 8-chloro-4-(2-dimethylaminoethylamino)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(c1NCCN(C)C)cccc2Cl
InChi [?]:
InChI=1/C16H20ClN3O2/c1-4-22-16(21)12-10-19-15-11(6-5-7-13(15)17)14(12)18-8-9-20(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,19,18,20,13,14,7,10,6,21,11,9,4,22,12,8,15,5,3/E:(2,3)/rA:22nCCOCOCCNCCCNCCNCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;s14;s15;s15;d10;s18;d19;d9s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20ClN3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2729
Area:529.318
Solvation:-2.96001
Coulombic:-41.5529
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.802
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.03
LogP (Chemaxon):2.75

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Descriptor Annotations

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