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Chemical ID: 4155454
Chemical ID:
4155454
Name [?]:
ethyl 2-methyl-4-(4-propoxycarbonylphenyl)amino-quinoline-6-carboxylate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)Nc2cc(nc3c2cc(cc3)C(=O)OCC)C
InChi [?]:
InChI=1/C23H24N2O4/c1-4-12-29-22(26)16-6-9-18(10-7-16)25-21-13-15(3)24-20-11-8-17(14-19(20)21)23(27)28-5-2/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,29,2,27,8,12,22,9,11,23,3,15,20,16,7,21,10,19,18,14,5,24,17,13,6,25,26,4/E:(6,7)(9,10)/rA:29nCCCOCOCCCCCCNCCCNCCCCCCCOOCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s21;d24;s24;s26;s27;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2645 |
Area: | 656.184 |
Solvation: | -3.14006 |
Coulombic: | -56.9244 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 392.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.73 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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