3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one

C17H19FN2O2 — CID 127048914

IUPAC3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one
SMILESCCn1cc(C(C)=O)c(=O)c2cc(F)c(N3CCCC3)cc21
InChIInChI=1S/C17H19FN2O2/c1-3-19-10-13(11(2)21)17(22)12-8-14(18)16(9-15(12)19)20-6-4-5-7-20/h8-10H,3-7H2,1-2H3
InChIKeyUAZAGRKNDICJNC-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.96
Rot. Bonds3

About 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one

3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one (PubChem CID 127048914) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one.

Molecular Properties

Compound Name3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one
PubChem CID127048914
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one
SMILESCCn1cc(C(C)=O)c(=O)c2cc(F)c(N3CCCC3)cc21
InChIInChI=1S/C17H19FN2O2/c1-3-19-10-13(11(2)21)17(22)12-8-14(18)16(9-15(12)19)20-6-4-5-7-20/h8-10H,3-7H2,1-2H3
InChIKeyUAZAGRKNDICJNC-UHFFFAOYSA-N
XLogP2.96
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-6-fluoro-4-oxo-7-piperidin-1-yl-1,4-dihydroquinoline-3-carbohydrazide
CID 718471
1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
CID 919346
1-Ethyl-6-fluoro-7-(piperazin-1-YL)quinolin-4(1H)-one
CID 12733939
3-Benzoyl-1-pentyl-1,4-dihydroquinolin-4-one
CID 44436068
1-(3-Fluoro-4-pyrrolidin-1-yl-phenyl)-butan-1-one
CID 606126
7-(Cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
CID 718467
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-propyl-1,4-dihydroquinoline-3-carboxamide
CID 1893821
1-ethyl-6-fluoro-N-hexyl-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 1895893
7-(1-azepanyl)-6-fluoro-4(1H)-quinolinone
CID 4281131
n-(3-Amino-4-propyl-phenyl)-4-oxo-1h-quinoline-3-carboxamide
CID 66675476
5,7-difluoro-2-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-3-methyl-1H-quinolin-4-one
CID 129259185
5,7-difluoro-2-[4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]-3-methyl-1H-quinolin-4-one
CID 129259192

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one?
The IUPAC name of 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one (CID 127048914) is 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one.
What is the SMILES notation for 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one?
The canonical SMILES for 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one is CCn1cc(C(C)=O)c(=O)c2cc(F)c(N3CCCC3)cc21.
What is the InChIKey of 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one?
The InChIKey is UAZAGRKNDICJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-19-10-13(11(2)21)17(22)12-8-14(18)16(9-15(12)19)20-6-4-5-7-20/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one?
3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one has a molecular weight of 302.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one is sourced from PubChem (CID 127048914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).