6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one

C23H18F2N2O2 — CID 169250792

IUPAC6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(-c2cc3ccccc3nc2Oc2ccc(F)c(F)c2C)cc(=O)c1C
InChIInChI=1S/C23H18F2N2O2/c1-12-14(3)26-19(11-20(12)28)16-10-15-6-4-5-7-18(15)27-23(16)29-21-9-8-17(24)22(25)13(21)2/h4-11H,1-3H3,(H,26,28)
InChIKeyWVZZWDGIJDENLW-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.59
Rot. Bonds3

About 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one

6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one (PubChem CID 169250792) has the molecular formula C23H18F2N2O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one
PubChem CID169250792
Molecular FormulaC23H18F2N2O2
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(-c2cc3ccccc3nc2Oc2ccc(F)c(F)c2C)cc(=O)c1C
InChIInChI=1S/C23H18F2N2O2/c1-12-14(3)26-19(11-20(12)28)16-10-15-6-4-5-7-18(15)27-23(16)29-21-9-8-17(24)22(25)13(21)2/h4-11H,1-3H3,(H,26,28)
InChIKeyWVZZWDGIJDENLW-UHFFFAOYSA-N
XLogP5.59
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one with MolForge

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Related Compounds

ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 169250545
[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]boronic acid
CID 169249268
ethyl 5-(1-amino-1-oxopropan-2-yl)-2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 169250638
ethyl 5-[(2R)-1-amino-1-oxopropan-2-yl]-2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 169250347
6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one
CID 169250650
6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
CID 169250512
3-(1H-indol-2-yl)-2-methoxyquinoline
CID 86101824
(4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one
CID 169250713
6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-3-methylsulfinyl-1H-pyridin-4-one
CID 169250558
2-[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)phenyl]-5-(1,4-dimethylimidazol-2-yl)-1H-1,6-naphthyridin-4-one
CID 170416788
[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
CID 63036604
6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide
CID 169250691

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one?
The IUPAC name of 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one (CID 169250792) is 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one is Cc1[nH]c(-c2cc3ccccc3nc2Oc2ccc(F)c(F)c2C)cc(=O)c1C.
What is the InChIKey of 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one?
The InChIKey is WVZZWDGIJDENLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O2/c1-12-14(3)26-19(11-20(12)28)16-10-15-6-4-5-7-18(15)27-23(16)29-21-9-8-17(24)22(25)13(21)2/h4-11H,1-3H3,(H,26,28).
What are the key properties of 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one?
6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one has a molecular weight of 392.41 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-2,3-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 169250792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).