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

C24H27NO4 — CID 57403213

IUPAC3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(COc3cccc(OCC4CCOCC4)c3)c(C)c(=O)c2c1
InChIInChI=1S/C24H27NO4/c1-16-6-7-22-21(12-16)24(26)17(2)23(25-22)15-29-20-5-3-4-19(13-20)28-14-18-8-10-27-11-9-18/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H,25,26)
InChIKeyHQSQYWFCWHOSNQ-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.53
Rot. Bonds6

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

3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (PubChem CID 57403213) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
PubChem CID57403213
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(COc3cccc(OCC4CCOCC4)c3)c(C)c(=O)c2c1
InChIInChI=1S/C24H27NO4/c1-16-6-7-22-21(12-16)24(26)17(2)23(25-22)15-29-20-5-3-4-19(13-20)28-14-18-8-10-27-11-9-18/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H,25,26)
InChIKeyHQSQYWFCWHOSNQ-UHFFFAOYSA-N
XLogP4.53
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-Methyl-2-{[(3-phenoxypropyl)amino]methyl}quinolin-4-OL
CID 72901200
2-[[2-(3-Methoxyphenoxy)-1-oxoethyl]amino]benzamide
CID 659792
2-(4-Methoxyphenyl)-6-methyl-4(1h)-quinolinone
CID 9547805
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-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57394499
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

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The IUPAC name of 3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (CID 57403213) is 3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The canonical SMILES for 3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(COc3cccc(OCC4CCOCC4)c3)c(C)c(=O)c2c1.
What is the InChIKey of 3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The InChIKey is HQSQYWFCWHOSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-16-6-7-22-21(12-16)24(26)17(2)23(25-22)15-29-20-5-3-4-19(13-20)28-14-18-8-10-27-11-9-18/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H,25,26).
What are the key properties of 3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one has a molecular weight of 393.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 57403213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).