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Chemical ID: 4159477
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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