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

C23H25NO4 — CID 25222164

IUPAC3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H25NO4/c1-16-22(24-21-8-3-2-7-20(21)23(16)25)15-28-19-6-4-5-18(13-19)27-14-17-9-11-26-12-10-17/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,25)
InChIKeyVHPSMRQSPACDNY-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.22
Rot. Bonds6

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

3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (PubChem CID 25222164) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
PubChem CID25222164
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H25NO4/c1-16-22(24-21-8-3-2-7-20(21)23(16)25)15-28-19-6-4-5-18(13-19)27-14-17-9-11-26-12-10-17/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,25)
InChIKeyVHPSMRQSPACDNY-UHFFFAOYSA-N
XLogP4.22
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dimethoxybenzoate
CID 1346502
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetylamino]-benzoic acid
CID 1082766
N1-(2-methylphenyl)-2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamide
CID 2728610
2-[[2-(3-Methoxyphenoxy)-1-oxoethyl]amino]benzamide
CID 659792
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-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (CID 25222164) is 3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The InChIKey is VHPSMRQSPACDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-16-22(24-21-8-3-2-7-20(21)23(16)25)15-28-19-6-4-5-18(13-19)27-14-17-9-11-26-12-10-17/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,25).
What are the key properties of 3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 25222164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).