2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one

C21H14F2N2O — CID 67617282

IUPAC2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(F)cc3F)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H14F2N2O/c1-12-20(25-19-5-3-2-4-16(19)21(12)26)13-6-9-18(24-11-13)15-8-7-14(22)10-17(15)23/h2-11H,1H3,(H,25,26)
InChIKeyAITGJLZJIISSMG-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.84
Rot. Bonds2

About 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one

2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (PubChem CID 67617282) has the molecular formula C21H14F2N2O and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
PubChem CID67617282
Molecular FormulaC21H14F2N2O
Molecular Weight348.35 g/mol
Exact Mass348.11
IUPAC Name2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(F)cc3F)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H14F2N2O/c1-12-20(25-19-5-3-2-4-16(19)21(12)26)13-6-9-18(24-11-13)15-8-7-14(22)10-17(15)23/h2-11H,1H3,(H,25,26)
InChIKeyAITGJLZJIISSMG-UHFFFAOYSA-N
XLogP4.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (CID 67617282) is 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccc(F)cc3F)nc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is AITGJLZJIISSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O/c1-12-20(25-19-5-3-2-4-16(19)21(12)26)13-6-9-18(24-11-13)15-8-7-14(22)10-17(15)23/h2-11H,1H3,(H,25,26).
What are the key properties of 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one has a molecular weight of 348.35 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-difluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 67617282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).