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Chemical ID: 4851937
Chemical ID:
4851937
Name [?]:
N-(3-diethylaminopropyl)-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
SMILES [?]:
CCN(CC)CCCNC(=O)c1c(c2cc(c(cc2[nH]c1=O)OC)OC)O
InChi [?]:
InChI=1/C19H27N3O5/c1-5-22(6-2)9-7-8-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,26,24,2,4,7,8,6,15,18,14,19,16,17,12,13,10,21,9,20,3,27,11,22,25,23/E:(1,2)(5,6)/rA:27nCCNCCCCCNCOCCCCCCCCNCOOCOCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;d21;s17;s23;s16;s25;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N3O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.66844 |
Area: | 621.475 |
Solvation: | -6.86845 |
Coulombic: | -75.0703 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 377.435 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.53 |
LogP (Chemaxon): | -1.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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