1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one

C20H16FN3O — CID 71540387

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one
SMILESCn1cc(-c2ccc(Cn3c(=O)ccc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C20H16FN3O/c1-23-12-17(11-22-23)15-6-7-16(18(21)10-15)13-24-19-5-3-2-4-14(19)8-9-20(24)25/h2-12H,13H2,1H3
InChIKeyRKXLMQXEUZYUGC-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.59
Rot. Bonds3

About 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one (PubChem CID 71540387) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one
PubChem CID71540387
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one
SMILESCn1cc(-c2ccc(Cn3c(=O)ccc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C20H16FN3O/c1-23-12-17(11-22-23)15-6-7-16(18(21)10-15)13-24-19-5-3-2-4-14(19)8-9-20(24)25/h2-12H,13H2,1H3
InChIKeyRKXLMQXEUZYUGC-UHFFFAOYSA-N
XLogP3.59
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one (CID 71540387) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one is Cn1cc(-c2ccc(Cn3c(=O)ccc4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one?
The InChIKey is RKXLMQXEUZYUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-23-12-17(11-22-23)15-6-7-16(18(21)10-15)13-24-19-5-3-2-4-14(19)8-9-20(24)25/h2-12H,13H2,1H3.
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one has a molecular weight of 333.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one is sourced from PubChem (CID 71540387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).