1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one

C15H21NO2 — CID 112589514

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one
SMILESCC(C)(C)OCCN1CCC(=O)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-15(2,3)18-11-10-16-9-8-14(17)12-6-4-5-7-13(12)16/h4-7H,8-11H2,1-3H3
InChIKeyRCBJYZBOZZHUQJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one (PubChem CID 112589514) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one
PubChem CID112589514
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one
SMILESCC(C)(C)OCCN1CCC(=O)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-15(2,3)18-11-10-16-9-8-14(17)12-6-4-5-7-13(12)16/h4-7H,8-11H2,1-3H3
InChIKeyRCBJYZBOZZHUQJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one (CID 112589514) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one is CC(C)(C)OCCN1CCC(=O)c2ccccc21.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one?
The InChIKey is RCBJYZBOZZHUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)18-11-10-16-9-8-14(17)12-6-4-5-7-13(12)16/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one has a molecular weight of 247.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 112589514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).