6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one

C24H25NO4 — CID 10385788

IUPAC6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
SMILESCC(=O)C1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1
InChIInChI=1S/C24H25NO4/c1-17(26)24(10-12-28-13-11-24)20-4-3-5-21(15-20)29-16-18-6-8-22-19(14-18)7-9-23(27)25(22)2/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyZDOHTEDHUXUXQF-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.75
Rot. Bonds5

About 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one

6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one (PubChem CID 10385788) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
PubChem CID10385788
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
SMILESCC(=O)C1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1
InChIInChI=1S/C24H25NO4/c1-17(26)24(10-12-28-13-11-24)20-4-3-5-21(15-20)29-16-18-6-8-22-19(14-18)7-9-23(27)25(22)2/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyZDOHTEDHUXUXQF-UHFFFAOYSA-N
XLogP3.75
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one?
The IUPAC name of 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one (CID 10385788) is 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one is CC(=O)C1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1.
What is the InChIKey of 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one?
The InChIKey is ZDOHTEDHUXUXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-17(26)24(10-12-28-13-11-24)20-4-3-5-21(15-20)29-16-18-6-8-22-19(14-18)7-9-23(27)25(22)2/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one?
6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-acetyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 10385788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).