Chemical ID: 7403134

Cc1ccc2c(c1)cc(c(n2)O)CN(Cc3cccnc3)C(=O)c4ccco4
Chemical ID:
7403134
Name [?]:
N-[(2-hydroxy-6-methyl-3-quinolyl)methyl]-N-(3-pyridylmethyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)cc(c(n2)O)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:1,18,26,17,25,3,4,19,27,7,8,21,15,13,2,16,6,9,5,24,10,22,20,11,14,12,23,28/rA:28nCCCCCCCCCCNOCNCCCCCNCCOCCCCO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;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:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1452
Area:564.158
Solvation:-3.95872
Coulombic:-53.9652
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.405
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.3
LogP (Chemaxon):3.35

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