8-fluoro-2-propyl-1H-quinolin-4-one

C12H12FNO — CID 39346190

IUPAC8-fluoro-2-propyl-1H-quinolin-4-one
SMILESCCCc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C12H12FNO/c1-2-4-8-7-11(15)9-5-3-6-10(13)12(9)14-8/h3,5-7H,2,4H2,1H3,(H,14,15)
InChIKeyJZPNQIKHMCSDPX-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.62
Rot. Bonds2

About 8-fluoro-2-propyl-1H-quinolin-4-one

8-fluoro-2-propyl-1H-quinolin-4-one (PubChem CID 39346190) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 8-fluoro-2-propyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-propyl-1H-quinolin-4-one
PubChem CID39346190
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name8-fluoro-2-propyl-1H-quinolin-4-one
SMILESCCCc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C12H12FNO/c1-2-4-8-7-11(15)9-5-3-6-10(13)12(9)14-8/h3,5-7H,2,4H2,1H3,(H,14,15)
InChIKeyJZPNQIKHMCSDPX-UHFFFAOYSA-N
XLogP2.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-propyl-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-2-propyl-1H-quinolin-4-one (CID 39346190) is 8-fluoro-2-propyl-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-2-propyl-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-2-propyl-1H-quinolin-4-one is CCCc1cc(=O)c2cccc(F)c2[nH]1.
What is the InChIKey of 8-fluoro-2-propyl-1H-quinolin-4-one?
The InChIKey is JZPNQIKHMCSDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-2-4-8-7-11(15)9-5-3-6-10(13)12(9)14-8/h3,5-7H,2,4H2,1H3,(H,14,15).
What are the key properties of 8-fluoro-2-propyl-1H-quinolin-4-one?
8-fluoro-2-propyl-1H-quinolin-4-one has a molecular weight of 205.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-propyl-1H-quinolin-4-one is sourced from PubChem (CID 39346190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).