ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate

C25H20F2N2O4 — CID 169250545

About ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate

ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 169250545) has the molecular formula C25H20F2N2O4 and a molecular weight of 450.44 g/mol. Its IUPAC name is ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
• PubChem CID: 169250545
• Molecular Formula: C25H20F2N2O4
• Molecular Weight: 450.44 g/mol
• Exact Mass: 450.14
• IUPAC Name: ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
• SMILES: CCOC(=O)c1c(-c2cc3ccccc3nc2Oc2ccc(F)c(F)c2C)[nH]c(C)cc1=O
• InChI: InChI=1S/C25H20F2N2O4/c1-4-32-25(31)21-19(30)11-13(2)28-23(21)16-12-15-7-5-6-8-18(15)29-24(16)33-20-10-9-17(26)22(27)14(20)3/h5-12H,4H2,1-3H3,(H,28,30)
• InChIKey: OSQZLOIVXXVBHV-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 81.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.44
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?

The IUPAC name of ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate (CID 169250545) is ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate.

What is the SMILES notation for ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?

The canonical SMILES for ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2cc3ccccc3nc2Oc2ccc(F)c(F)c2C)[nH]c(C)cc1=O.

What is the InChIKey of ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?

The InChIKey is OSQZLOIVXXVBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O4/c1-4-32-25(31)21-19(30)11-13(2)28-23(21)16-12-15-7-5-6-8-18(15)29-24(16)33-20-10-9-17(26)22(27)14(20)3/h5-12H,4H2,1-3H3,(H,28,30).

What are the key properties of ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?

ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 450.44 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 169250545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).