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Chemical ID: 4165386
Chemical ID:
4165386
Name [?]:
4-hydroxy-6-methyl-3-phenyl-1H-quinolin-2-one
SMILES [?]:
Cc1ccc2c(c1)c(c(c(=O)[nH]2)c3ccccc3)O
InChi [?]:
InChI=1/C16H13NO2/c1-10-7-8-13-12(9-10)15(18)14(16(19)17-13)11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,3,4,7,2,13,6,5,9,8,10,12,19,11/E:(3,4)(5,6)/rA:19nCCCCCCCCCCONCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s5s10;s9;s13;d14;s15;d16;d13s17;s8;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.45355 |
Area: | 424.289 |
Solvation: | -2.15366 |
Coulombic: | -39.541 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 251.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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