7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

C19H16FN3O — CID 166339504

IUPAC7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(-c3cc(Cn4cccn4)ccc3F)cc2N1
InChIInChI=1S/C19H16FN3O/c20-17-6-2-13(12-23-9-1-8-21-23)10-16(17)15-4-3-14-5-7-19(24)22-18(14)11-15/h1-4,6,8-11H,5,7,12H2,(H,22,24)
InChIKeyUEPWAEGEWFCGSU-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.62
Rot. Bonds3

About 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 166339504) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID166339504
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(-c3cc(Cn4cccn4)ccc3F)cc2N1
InChIInChI=1S/C19H16FN3O/c20-17-6-2-13(12-23-9-1-8-21-23)10-16(17)15-4-3-14-5-7-19(24)22-18(14)11-15/h1-4,6,8-11H,5,7,12H2,(H,22,24)
InChIKeyUEPWAEGEWFCGSU-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 166339504) is 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(-c3cc(Cn4cccn4)ccc3F)cc2N1.
What is the InChIKey of 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UEPWAEGEWFCGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-17-6-2-13(12-23-9-1-8-21-23)10-16(17)15-4-3-14-5-7-19(24)22-18(14)11-15/h1-4,6,8-11H,5,7,12H2,(H,22,24).
What are the key properties of 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 321.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 166339504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).