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

C20H19F2N3O — CID 141216800

IUPAC6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one
SMILESCN1CCN(c2cc3c(cc2F)c(=O)ccn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19F2N3O/c1-23-8-10-24(11-9-23)19-13-18-16(12-17(19)22)20(26)6-7-25(18)15-4-2-14(21)3-5-15/h2-7,12-13H,8-11H2,1H3
InChIKeyZNZMIGCDUXJWQF-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.02
Rot. Bonds2

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

6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one (PubChem CID 141216800) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one
PubChem CID141216800
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one
SMILESCN1CCN(c2cc3c(cc2F)c(=O)ccn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19F2N3O/c1-23-8-10-24(11-9-23)19-13-18-16(12-17(19)22)20(26)6-7-25(18)15-4-2-14(21)3-5-15/h2-7,12-13H,8-11H2,1H3
InChIKeyZNZMIGCDUXJWQF-UHFFFAOYSA-N
XLogP3.02
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 23210440
6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
CID 154634949
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-3-hydroxy-2-methylpyridin-4-one
CID 164579236
2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
CID 56956863
3-[5-[1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-1,3,4-oxadiazol-2-yl]-6-fluoro-1-(4-fluorophenyl)-8-methoxy-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 45111978
7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 10430164
1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
CID 135139864
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
7-[4-[4-(3,5-dichlorophenyl)-5-oxo-2H-furan-3-yl]piperazin-1-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 141343162
6-fluoro-1-(4-fluorophenyl)-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 131699068
1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
CID 53358224
benzyl 6-fluoro-1-[4-(methoxymethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 154061627

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one?
The IUPAC name of 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one (CID 141216800) is 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one.
What is the SMILES notation for 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one?
The canonical SMILES for 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one is CN1CCN(c2cc3c(cc2F)c(=O)ccn3-c2ccc(F)cc2)CC1.
What is the InChIKey of 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one?
The InChIKey is ZNZMIGCDUXJWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-23-8-10-24(11-9-23)19-13-18-16(12-17(19)22)20(26)6-7-25(18)15-4-2-14(21)3-5-15/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one?
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one has a molecular weight of 355.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one is sourced from PubChem (CID 141216800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).