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Chemical ID: 3900611
Chemical ID:
3900611
Name [?]:
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-pyridylmethyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(Cc3cccnc3)C(=O)c4ccco4
InChi [?]:
InChI=1/C22H19N3O3/c1-15-6-7-19-17(10-15)11-18(21(26)24-19)14-25(13-16-4-2-8-23-12-16)22(27)20-5-3-9-28-20/h2-12H,13-14H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,18,26,17,25,3,4,19,27,7,8,21,15,13,2,16,6,9,5,24,10,22,20,12,14,11,23,28/rA:28nCCCCCCCCCCONCNCCCCCNCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s5s10;s9;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6363 |
Area: | 564.757 |
Solvation: | -3.48264 |
Coulombic: | -53.0195 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.405 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.01 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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