3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one

C17H11ClF2N2O2 — CID 25014061

IUPAC3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one
SMILESCC(=O)c1c(Nc2cccc(F)c2)[nH]c2c(Cl)ccc(F)c2c1=O
InChIInChI=1S/C17H11ClF2N2O2/c1-8(23)13-16(24)14-12(20)6-5-11(18)15(14)22-17(13)21-10-4-2-3-9(19)7-10/h2-7H,1H3,(H2,21,22,24)
InChIKeyHUELYEJQBOHKEL-UHFFFAOYSA-N
MW348.74 g/mol
LogP4.41
Rot. Bonds3

About 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one

3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one (PubChem CID 25014061) has the molecular formula C17H11ClF2N2O2 and a molecular weight of 348.74 g/mol. Its IUPAC name is 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one
PubChem CID25014061
Molecular FormulaC17H11ClF2N2O2
Molecular Weight348.74 g/mol
Exact Mass348.05
IUPAC Name3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one
SMILESCC(=O)c1c(Nc2cccc(F)c2)[nH]c2c(Cl)ccc(F)c2c1=O
InChIInChI=1S/C17H11ClF2N2O2/c1-8(23)13-16(24)14-12(20)6-5-11(18)15(14)22-17(13)21-10-4-2-3-9(19)7-10/h2-7H,1H3,(H2,21,22,24)
InChIKeyHUELYEJQBOHKEL-UHFFFAOYSA-N
XLogP4.41
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one?
The IUPAC name of 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one (CID 25014061) is 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one.
What is the SMILES notation for 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one?
The canonical SMILES for 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one is CC(=O)c1c(Nc2cccc(F)c2)[nH]c2c(Cl)ccc(F)c2c1=O.
What is the InChIKey of 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one?
The InChIKey is HUELYEJQBOHKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O2/c1-8(23)13-16(24)14-12(20)6-5-11(18)15(14)22-17(13)21-10-4-2-3-9(19)7-10/h2-7H,1H3,(H2,21,22,24).
What are the key properties of 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one?
3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one has a molecular weight of 348.74 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one is sourced from PubChem (CID 25014061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).