8-fluoro-6-propanoyl-1H-quinolin-2-one

C12H10FNO2 — CID 82212911

IUPAC8-fluoro-6-propanoyl-1H-quinolin-2-one
SMILESCCC(=O)c1cc(F)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C12H10FNO2/c1-2-10(15)8-5-7-3-4-11(16)14-12(7)9(13)6-8/h3-6H,2H2,1H3,(H,14,16)
InChIKeySGEFZCMXTJHUCK-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.26
Rot. Bonds2

About 8-fluoro-6-propanoyl-1H-quinolin-2-one

8-fluoro-6-propanoyl-1H-quinolin-2-one (PubChem CID 82212911) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is 8-fluoro-6-propanoyl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-fluoro-6-propanoyl-1H-quinolin-2-one
PubChem CID82212911
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Name8-fluoro-6-propanoyl-1H-quinolin-2-one
SMILESCCC(=O)c1cc(F)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C12H10FNO2/c1-2-10(15)8-5-7-3-4-11(16)14-12(7)9(13)6-8/h3-6H,2H2,1H3,(H,14,16)
InChIKeySGEFZCMXTJHUCK-UHFFFAOYSA-N
XLogP2.26
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-propanoyl-1H-quinolin-2-one?
The IUPAC name of 8-fluoro-6-propanoyl-1H-quinolin-2-one (CID 82212911) is 8-fluoro-6-propanoyl-1H-quinolin-2-one.
What is the SMILES notation for 8-fluoro-6-propanoyl-1H-quinolin-2-one?
The canonical SMILES for 8-fluoro-6-propanoyl-1H-quinolin-2-one is CCC(=O)c1cc(F)c2[nH]c(=O)ccc2c1.
What is the InChIKey of 8-fluoro-6-propanoyl-1H-quinolin-2-one?
The InChIKey is SGEFZCMXTJHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-2-10(15)8-5-7-3-4-11(16)14-12(7)9(13)6-8/h3-6H,2H2,1H3,(H,14,16).
What are the key properties of 8-fluoro-6-propanoyl-1H-quinolin-2-one?
8-fluoro-6-propanoyl-1H-quinolin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-propanoyl-1H-quinolin-2-one is sourced from PubChem (CID 82212911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).