8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one

C20H16FN3O3 — CID 70737618

IUPAC8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2c(F)cccc2c1=O)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C20H16FN3O3/c21-16-8-4-7-14-18(16)22-11-15(19(14)26)20(27)23-9-10-24(17(25)12-23)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,26)
InChIKeyPSTKHKCJEFPFPN-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.16
Rot. Bonds2

About 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one

8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one (PubChem CID 70737618) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one
PubChem CID70737618
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2c(F)cccc2c1=O)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C20H16FN3O3/c21-16-8-4-7-14-18(16)22-11-15(19(14)26)20(27)23-9-10-24(17(25)12-23)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,26)
InChIKeyPSTKHKCJEFPFPN-UHFFFAOYSA-N
XLogP2.16
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one (CID 70737618) is 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one is O=C(c1c[nH]c2c(F)cccc2c1=O)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one?
The InChIKey is PSTKHKCJEFPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c21-16-8-4-7-14-18(16)22-11-15(19(14)26)20(27)23-9-10-24(17(25)12-23)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,26).
What are the key properties of 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one?
8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one has a molecular weight of 365.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(3-oxo-4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one is sourced from PubChem (CID 70737618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).