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Chemical ID: 6154461
Chemical ID:
6154461
Name [?]:
methyl 4-(4-butoxycarbonylphenyl)amino-2-methyl-quinoline-6-carboxylate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)Nc2cc(nc3c2cc(cc3)C(=O)OC)C
InChi [?]:
InChI=1/C23H24N2O4/c1-4-5-12-29-23(27)16-6-9-18(10-7-16)25-21-13-15(2)24-20-11-8-17(14-19(20)21)22(26)28-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,29,28,2,3,9,13,23,10,12,24,4,16,21,17,8,22,11,20,19,15,25,6,18,14,26,7,27,5/E:(6,7)(9,10)/rA:29nCCCCOCOCCCCCCNCCCNCCCCCCCOOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s22;d25;s25;s27;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2134 |
Area: | 658.192 |
Solvation: | -3.24144 |
Coulombic: | -56.9376 |
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: | 4.87 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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