2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one

C19H14FN3O — CID 67617039

IUPAC2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one
SMILESO=c1cc(-c2cnn(Cc3ccc(F)cc3)c2)[nH]c2ccccc12
InChIInChI=1S/C19H14FN3O/c20-15-7-5-13(6-8-15)11-23-12-14(10-21-23)18-9-19(24)16-3-1-2-4-17(16)22-18/h1-10,12H,11H2,(H,22,24)
InChIKeyOUIFLWROHXFSCJ-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.58
Rot. Bonds3

About 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one

2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one (PubChem CID 67617039) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one
PubChem CID67617039
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one
SMILESO=c1cc(-c2cnn(Cc3ccc(F)cc3)c2)[nH]c2ccccc12
InChIInChI=1S/C19H14FN3O/c20-15-7-5-13(6-8-15)11-23-12-14(10-21-23)18-9-19(24)16-3-1-2-4-17(16)22-18/h1-10,12H,11H2,(H,22,24)
InChIKeyOUIFLWROHXFSCJ-UHFFFAOYSA-N
XLogP3.58
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one (CID 67617039) is 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one is O=c1cc(-c2cnn(Cc3ccc(F)cc3)c2)[nH]c2ccccc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one?
The InChIKey is OUIFLWROHXFSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-15-7-5-13(6-8-15)11-23-12-14(10-21-23)18-9-19(24)16-3-1-2-4-17(16)22-18/h1-10,12H,11H2,(H,22,24).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one?
2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one has a molecular weight of 319.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one is sourced from PubChem (CID 67617039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).