6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one

C19H14FN3O — CID 166439575

IUPAC6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)n[nH]1
InChIInChI=1S/C19H14FN3O/c1-11-9-16(23-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)24/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyKIFHIJYZFKBVBG-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.03
Rot. Bonds2

About 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one

6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one (PubChem CID 166439575) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
PubChem CID166439575
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)n[nH]1
InChIInChI=1S/C19H14FN3O/c1-11-9-16(23-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)24/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyKIFHIJYZFKBVBG-UHFFFAOYSA-N
XLogP4.03
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one (CID 166439575) is 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one is Cc1cc(-c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)n[nH]1.
What is the InChIKey of 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one?
The InChIKey is KIFHIJYZFKBVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-11-9-16(23-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)24/h2-10H,1H3,(H,21,24)(H,22,23).
What are the key properties of 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one?
6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one has a molecular weight of 319.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 166439575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).