Chemical ID: 4159477

CCOC(=O)c1cnc2ccc(cc2c1NCCCN(C)C)C(=O)OC
Chemical ID:
4159477
Name [?]:
ethyl methyl 4-(3-dimethylaminopropylamino)quinoline-3,6-dicarboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccc(cc2c1NCCCN(C)C)C(=O)OC
InChi [?]:
InChI=1/C19H25N3O4/c1-5-26-19(24)15-12-21-16-8-7-13(18(23)25-4)11-14(16)17(15)20-9-6-10-22(2)3/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,26,2,18,11,10,17,19,13,7,12,14,6,9,15,23,4,16,8,20,24,5,25,3/E:(2,3)/rA:26nCCOCOCCNCCCCCCCNCCCNCCCOOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s19;s20;s20;s12;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2448
Area:604.796
Solvation:-3.87512
Coulombic:-59.7686
Bond Count [?]
All:27
Single:20
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:359.42
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.71
LogP (Chemaxon):1.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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