6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one

C23H24FNO4 — CID 57394499

IUPAC6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C23H24FNO4/c1-15-22(25-21-6-5-17(24)11-20(21)23(15)26)14-29-19-4-2-3-18(12-19)28-13-16-7-9-27-10-8-16/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,25,26)
InChIKeyVFXPGUSWBCYCOT-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.36
Rot. Bonds6

About 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one

6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (PubChem CID 57394499) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
PubChem CID57394499
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Name6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C23H24FNO4/c1-15-22(25-21-6-5-17(24)11-20(21)23(15)26)14-29-19-4-2-3-18(12-19)28-13-16-7-9-27-10-8-16/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,25,26)
InChIKeyVFXPGUSWBCYCOT-UHFFFAOYSA-N
XLogP4.36
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

2-[[2-(3-Methoxyphenoxy)-1-oxoethyl]amino]benzamide
CID 659792
3-methyl-2-{[3-(tetrahydro-2H-pyran-4-ylmethoxy)phenoxy]methyl}quinolin-4(1H)-one
CID 25222164
3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-4-oxo-1H-quinoline-6-carboxylic acid
CID 57390988
3-methyl-2-[[3-(4,4,4-trifluorobutoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57392771
2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-3-propan-2-yl-1H-quinolin-4-one
CID 57392772
3-chloro-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57394498
6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57398055
2-[(3-butoxyphenoxy)methyl]-3-methyl-1H-quinolin-4-one
CID 57399710
6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57399711
2-[[3-(3-methoxy-3-methylbutoxy)phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 57401476
6-bromo-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57401477
3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57403213

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (CID 57394499) is 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The InChIKey is VFXPGUSWBCYCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-15-22(25-21-6-5-17(24)11-20(21)23(15)26)14-29-19-4-2-3-18(12-19)28-13-16-7-9-27-10-8-16/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,25,26).
What are the key properties of 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one has a molecular weight of 397.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 57394499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).