Chemical ID: 6832769

COc1ccc2c(c1)c(=O)cc([nH]2)c3ccccc3
Chemical ID:
6832769
Name [?]:
6-methoxy-2-phenyl-1H-quinolin-4-one
SMILES [?]:
COc1ccc2c(c1)c(=O)cc([nH]2)c3ccccc3
InChi [?]:
InChI=1/C16H13NO2/c1-19-12-7-8-14-13(9-12)16(18)10-15(17-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,4,5,8,11,14,3,7,6,12,9,13,10,2/E:(3,4)(5,6)/rA:19nCOCCCCCCCOCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;d11;s6s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO2
All Atoms:32
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.59187
Area:433.953
Solvation:-3.25696
Coulombic:-27.9393
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.28
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.66
LogP (Chemaxon):3.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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