7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one

C19H15F2N3O2 — CID 24783662

IUPAC7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one
SMILESO=C1CCN(c2ccccc2)N1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C19H15F2N3O2/c20-15-7-6-14-12(10-16(25)22-19(14)18(15)21)11-24-17(26)8-9-23(24)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,22,25)
InChIKeyMGQSHZCIKOIHCL-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.96
Rot. Bonds3

About 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one

7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 24783662) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID24783662
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one
SMILESO=C1CCN(c2ccccc2)N1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C19H15F2N3O2/c20-15-7-6-14-12(10-16(25)22-19(14)18(15)21)11-24-17(26)8-9-23(24)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,22,25)
InChIKeyMGQSHZCIKOIHCL-UHFFFAOYSA-N
XLogP2.96
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one (CID 24783662) is 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one is O=C1CCN(c2ccccc2)N1Cc1cc(=O)[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is MGQSHZCIKOIHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-15-7-6-14-12(10-16(25)22-19(14)18(15)21)11-24-17(26)8-9-23(24)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,22,25).
What are the key properties of 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 355.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 24783662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).