Chemical ID: 4806821

Cc1ccccc1c2nc(no2)c3cc4ccccc4nc3OC
Chemical ID:
4806821
Name [?]:
2-methoxy-3-[5-(o-tolyl)-1,2,4-oxadiazol-3-yl]-quinoline
SMILES [?]:
Cc1ccccc1c2nc(no2)c3cc4ccccc4nc3OC
InChi [?]:
InChI=1/C19H15N3O2/c1-12-7-3-5-9-14(12)19-21-17(22-24-19)15-11-13-8-4-6-10-16(13)20-18(15)23-2/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,4,17,5,18,3,16,6,19,14,2,15,7,13,20,10,22,8,21,9,11,23,12/rA:24nCCCCCCCCNCNOCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;s17;d18;s15s19;d20;d13s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3848
Area:506.97
Solvation:-2.28942
Coulombic:-29.2224
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.341
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.29
LogP (Chemaxon):5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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