1-methyl-2-phenoxyquinolin-4-one

C16H13NO2 — CID 53348958

IUPAC1-methyl-2-phenoxyquinolin-4-one
SMILESCn1c(Oc2ccccc2)cc(=O)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-17-14-10-6-5-9-13(14)15(18)11-16(17)19-12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyHBIGNUYKQYQFSC-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.33
Rot. Bonds2

About 1-methyl-2-phenoxyquinolin-4-one

1-methyl-2-phenoxyquinolin-4-one (PubChem CID 53348958) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-methyl-2-phenoxyquinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-phenoxyquinolin-4-one
PubChem CID53348958
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-methyl-2-phenoxyquinolin-4-one
SMILESCn1c(Oc2ccccc2)cc(=O)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-17-14-10-6-5-9-13(14)15(18)11-16(17)19-12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyHBIGNUYKQYQFSC-UHFFFAOYSA-N
XLogP3.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 622180
1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 1476756
6-Methoxy-2-phenyl-4-quinolone
CID 124348
7-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 253834
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
6-Methoxy-2-methylquinolin-4-ol
CID 316987
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
6-Iodo-4'-dimethyaminoflavone
CID 11574659
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 56965231
1-Hydroxy-3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]quinolin-4-one
CID 67616724
N-[3-(3-methoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]butanamide
CID 4906475

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenoxyquinolin-4-one?
The IUPAC name of 1-methyl-2-phenoxyquinolin-4-one (CID 53348958) is 1-methyl-2-phenoxyquinolin-4-one.
What is the SMILES notation for 1-methyl-2-phenoxyquinolin-4-one?
The canonical SMILES for 1-methyl-2-phenoxyquinolin-4-one is Cn1c(Oc2ccccc2)cc(=O)c2ccccc21.
What is the InChIKey of 1-methyl-2-phenoxyquinolin-4-one?
The InChIKey is HBIGNUYKQYQFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-17-14-10-6-5-9-13(14)15(18)11-16(17)19-12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 1-methyl-2-phenoxyquinolin-4-one?
1-methyl-2-phenoxyquinolin-4-one has a molecular weight of 251.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenoxyquinolin-4-one is sourced from PubChem (CID 53348958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).