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

C24H27NO3 — CID 10022483

IUPAC6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
SMILESCCC1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1
InChIInChI=1S/C24H27NO3/c1-3-24(11-13-27-14-12-24)20-5-4-6-21(16-20)28-17-18-7-9-22-19(15-18)8-10-23(26)25(22)2/h4-10,15-16H,3,11-14,17H2,1-2H3
InChIKeyJDKMNWTTYKETJR-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.58
Rot. Bonds5

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

6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one (PubChem CID 10022483) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
PubChem CID10022483
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
SMILESCCC1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1
InChIInChI=1S/C24H27NO3/c1-3-24(11-13-27-14-12-24)20-5-4-6-21(16-20)28-17-18-7-9-22-19(15-18)8-10-23(26)25(22)2/h4-10,15-16H,3,11-14,17H2,1-2H3
InChIKeyJDKMNWTTYKETJR-UHFFFAOYSA-N
XLogP4.58
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one?
The IUPAC name of 6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one (CID 10022483) is 6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one is CCC1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1.
What is the InChIKey of 6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one?
The InChIKey is JDKMNWTTYKETJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-3-24(11-13-27-14-12-24)20-5-4-6-21(16-20)28-17-18-7-9-22-19(15-18)8-10-23(26)25(22)2/h4-10,15-16H,3,11-14,17H2,1-2H3.
What are the key properties of 6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one?
6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one has a molecular weight of 377.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 10022483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).