3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one

C24H27NO3 — CID 59527248

IUPAC3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2ccc(CCC3CCOCC3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C24H27NO3/c1-17-23(25-22-5-3-2-4-21(22)24(17)26)16-28-20-10-8-18(9-11-20)6-7-19-12-14-27-15-13-19/h2-5,8-11,19H,6-7,12-16H2,1H3,(H,25,26)
InChIKeyJVJTYXYVIWREPF-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.77
Rot. Bonds6

About 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one

3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one (PubChem CID 59527248) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one
PubChem CID59527248
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2ccc(CCC3CCOCC3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C24H27NO3/c1-17-23(25-22-5-3-2-4-21(22)24(17)26)16-28-20-10-8-18(9-11-20)6-7-19-12-14-27-15-13-19/h2-5,8-11,19H,6-7,12-16H2,1H3,(H,25,26)
InChIKeyJVJTYXYVIWREPF-UHFFFAOYSA-N
XLogP4.77
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one (CID 59527248) is 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one is Cc1c(COc2ccc(CCC3CCOCC3)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one?
The InChIKey is JVJTYXYVIWREPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-17-23(25-22-5-3-2-4-21(22)24(17)26)16-28-20-10-8-18(9-11-20)6-7-19-12-14-27-15-13-19/h2-5,8-11,19H,6-7,12-16H2,1H3,(H,25,26).
What are the key properties of 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one?
3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one has a molecular weight of 377.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 59527248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).