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

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

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Related Compounds

6-Methoxy-2-phenyl-4-quinolone
CID 124348
2-Methoxy-9(10H)-acridone
CID 407032
6-Methyl-2-{[(3-phenoxypropyl)amino]methyl}quinolin-4-OL
CID 72901200
4-Methoxyacridin-9(10H)-one
CID 51991
6-Ethoxy-2-methyl-4-quinolinol
CID 730934
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 56965231
5-Fluoro-3-Methyl-2-{4-[4-(Trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-One
CID 124222414
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
6-butyl-3-iodo-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925756
3-methyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinolin-4-one
CID 67609434
2-methyl-3-{4-[4-(trifluoromethoxy)phenoxy]phenyl}quinolin-4(1H)-one
CID 70683648

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).