Chemical ID: 4633230

COc1ccc2cc(c(nc2c1)N3CCCCC3)C=C4C(=O)OC(=N4)c5ccccc5
Chemical ID:
4633230
Name [?]:
4-[[7-methoxy-2-(1-piperidyl)-3-quinolyl]methylene]-2-phenyl-oxazol-5-one
SMILES [?]:
COc1ccc2cc(c(nc2c1)N3CCCCC3)C=C4C(=O)OC(=N4)c5ccccc5
InChi [?]:
InChI=1/C25H23N3O3/c1-30-20-11-10-18-14-19(23(26-21(18)16-20)28-12-6-3-7-13-28)15-22-25(29)31-24(27-22)17-8-4-2-5-9-17/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,16,28,30,15,17,27,31,5,4,14,18,7,19,12,26,6,8,3,11,20,9,24,21,10,25,13,22,2,23/E:(4,5)(6,7)(8,9)(12,13)/rA:31nCOCCCCCCCNCCNCCCCCCCCOOCNCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s9;s13;s14;s15;s16;s13s17;s8;w19;s20;d21;s21;s23;s20d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.9634
Area:623.502
Solvation:-3.6241
Coulombic:-47.9827
Bond Count [?]
All:35
Single:24
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:413.469
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.6
LogP (Chemaxon):5.18

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Descriptor Annotations

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