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

C21H15FN2O — CID 67648027

IUPAC2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccccc3F)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H15FN2O/c1-13-20(24-19-9-5-3-7-16(19)21(13)25)14-10-11-18(23-12-14)15-6-2-4-8-17(15)22/h2-12H,1H3,(H,24,25)
InChIKeyCZVKKMOANKAQNO-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.70
Rot. Bonds2

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

2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (PubChem CID 67648027) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
PubChem CID67648027
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccccc3F)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H15FN2O/c1-13-20(24-19-9-5-3-7-16(19)21(13)25)14-10-11-18(23-12-14)15-6-2-4-8-17(15)22/h2-12H,1H3,(H,24,25)
InChIKeyCZVKKMOANKAQNO-UHFFFAOYSA-N
XLogP4.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (CID 67648027) is 2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccccc3F)nc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is CZVKKMOANKAQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c1-13-20(24-19-9-5-3-7-16(19)21(13)25)14-10-11-18(23-12-14)15-6-2-4-8-17(15)22/h2-12H,1H3,(H,24,25).
What are the key properties of 2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one has a molecular weight of 330.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorophenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 67648027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).