Chemical ID: 5064555

CC(=O)c1ccnc2c1cc(cc2)OC
Chemical ID:
5064555
Name [?]:
1-(6-methoxy-4-quinolyl)ethanone
SMILES [?]:
CC(=O)c1ccnc2c1cc(cc2)OC
InChi [?]:
InChI=1/C12H11NO2/c1-8(14)10-5-6-13-12-4-3-9(15-2)7-11(10)12/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,12,13,5,6,10,2,11,4,9,8,7,3,14/rA:15nCCOCCCNCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s11;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.38038
Area:363.177
Solvation:-3.69905
Coulombic:-18.9103
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:201.221
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.88
LogP (Chemaxon):1.19

Name Annotations

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Descriptor Annotations

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