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Chemical ID: 6146822
Chemical ID:
6146822
Name [?]:
ethyl methyl 4-(5-hydroxypentylamino)quinoline-3,6-dicarboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccc(cc2c1NCCCCCO)C(=O)OC
InChi [?]:
InChI=1/C19H24N2O5/c1-3-26-19(24)15-12-21-16-8-7-13(18(23)25-2)11-14(16)17(15)20-9-5-4-6-10-22/h7-8,11-12,22H,3-6,9-10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,26,2,19,18,20,11,10,17,21,13,7,12,14,6,9,15,23,4,16,8,22,24,5,25,3/rA:26nCCOCOCCNCCCCCCCNCCCCCOCOOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s19;s20;s21;s12;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6113 |
Area: | 611.366 |
Solvation: | -4.67282 |
Coulombic: | -71.8012 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 360.404 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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