6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one

C17H22FN3O2 — CID 154634949

IUPAC6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
SMILESCC(C)On1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C17H22FN3O2/c1-12(2)23-21-5-4-17(22)13-10-14(18)16(11-15(13)21)20-8-6-19(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3
InChIKeyBLFLGBSJLMEEBG-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.73
Rot. Bonds3

About 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one

6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one (PubChem CID 154634949) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one.

Molecular Properties

Compound Name6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
PubChem CID154634949
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
SMILESCC(C)On1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C17H22FN3O2/c1-12(2)23-21-5-4-17(22)13-10-14(18)16(11-15(13)21)20-8-6-19(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3
InChIKeyBLFLGBSJLMEEBG-UHFFFAOYSA-N
XLogP1.73
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 23210440
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 141216800
9-chloro-2-fluoro-3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyindolo[3,2-c]quinoline
CID 175213633
1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine
CID 166090717
1-(3,4-difluorophenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 14421180
2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
CID 56956863
1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one
CID 23042973
6-fluoro-1-[(1R)-1-methoxypropyl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 124926871
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione
CID 22632981
1-(carboxymethyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 139222533
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
CID 15312350

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one?
The IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one (CID 154634949) is 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one.
What is the SMILES notation for 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one?
The canonical SMILES for 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one is CC(C)On1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21.
What is the InChIKey of 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one?
The InChIKey is BLFLGBSJLMEEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12(2)23-21-5-4-17(22)13-10-14(18)16(11-15(13)21)20-8-6-19(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one?
6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one has a molecular weight of 319.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one is sourced from PubChem (CID 154634949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).