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Chemical ID: 4166857
Chemical ID:
4166857
Name [?]:
7-methoxy-4-methyl-1H-quinolin-2-one
SMILES [?]:
Cc1cc(=O)[nH]c2c1ccc(c2)OC
InChi [?]:
InChI=1/C11H11NO2/c1-7-5-11(13)12-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,10,9,3,12,2,11,8,7,4,6,5,13/rA:14nCCCCONCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.81331 |
Area: | 347.799 |
Solvation: | -2.88166 |
Coulombic: | -27.9432 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.51 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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