1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one

C16H20FN3O — CID 23210440

IUPAC1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C16H20FN3O/c1-3-19-5-4-16(21)12-10-13(17)15(11-14(12)19)20-8-6-18(2)7-9-20/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyYHIQTOUWIMBVOL-UHFFFAOYSA-N
MW289.35 g/mol
LogP1.91
Rot. Bonds2

About 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one (PubChem CID 23210440) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
PubChem CID23210440
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C16H20FN3O/c1-3-19-5-4-16(21)12-10-13(17)15(11-14(12)19)20-8-6-18(2)7-9-20/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyYHIQTOUWIMBVOL-UHFFFAOYSA-N
XLogP1.91
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 141216800
1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one
CID 23042973
6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
CID 154634949
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate
CID 70471245
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydron;methanesulfonate
CID 24883450
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-[(E)-3-oxo-3-phenylprop-1-enyl]quinolin-4-one
CID 163450120
1-(carboxymethyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 139222533
zinc;1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;1,10-phenanthroline;chloride
CID 71656793
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione
CID 22632981
1-ethyl-6-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 12733930

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one?
The IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one (CID 23210440) is 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one.
What is the SMILES notation for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one?
The canonical SMILES for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one is CCn1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one?
The InChIKey is YHIQTOUWIMBVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-19-5-4-16(21)12-10-13(17)15(11-14(12)19)20-8-6-18(2)7-9-20/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one?
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one has a molecular weight of 289.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one is sourced from PubChem (CID 23210440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).