8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one

C20H16FN3O2 — CID 67459011

IUPAC8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one
SMILESCc1c(Cc2ccc(-n3cccn3)cc2)c(=O)[nH]c2c(F)ccc(O)c12
InChIInChI=1S/C20H16FN3O2/c1-12-15(20(26)23-19-16(21)7-8-17(25)18(12)19)11-13-3-5-14(6-4-13)24-10-2-9-22-24/h2-10,25H,11H2,1H3,(H,23,26)
InChIKeyIJOHQJKQEZQFLI-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.46
Rot. Bonds3

About 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one

8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one (PubChem CID 67459011) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one
PubChem CID67459011
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one
SMILESCc1c(Cc2ccc(-n3cccn3)cc2)c(=O)[nH]c2c(F)ccc(O)c12
InChIInChI=1S/C20H16FN3O2/c1-12-15(20(26)23-19-16(21)7-8-17(25)18(12)19)11-13-3-5-14(6-4-13)24-10-2-9-22-24/h2-10,25H,11H2,1H3,(H,23,26)
InChIKeyIJOHQJKQEZQFLI-UHFFFAOYSA-N
XLogP3.46
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one?
The IUPAC name of 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one (CID 67459011) is 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one is Cc1c(Cc2ccc(-n3cccn3)cc2)c(=O)[nH]c2c(F)ccc(O)c12.
What is the InChIKey of 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one?
The InChIKey is IJOHQJKQEZQFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-12-15(20(26)23-19-16(21)7-8-17(25)18(12)19)11-13-3-5-14(6-4-13)24-10-2-9-22-24/h2-10,25H,11H2,1H3,(H,23,26).
What are the key properties of 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one?
8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one has a molecular weight of 349.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-hydroxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 67459011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).