1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone

C15H21NO2 — CID 14372187

IUPAC1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)(C)c2cc(C(C)O)ccc21
InChIInChI=1S/C15H21NO2/c1-10(17)12-5-6-14-13(9-12)15(3,4)7-8-16(14)11(2)18/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyKZEJINABRYVUPX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.77
Rot. Bonds1

About 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone

1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone (PubChem CID 14372187) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone
PubChem CID14372187
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)(C)c2cc(C(C)O)ccc21
InChIInChI=1S/C15H21NO2/c1-10(17)12-5-6-14-13(9-12)15(3,4)7-8-16(14)11(2)18/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyKZEJINABRYVUPX-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone?
The IUPAC name of 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone (CID 14372187) is 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone is CC(=O)N1CCC(C)(C)c2cc(C(C)O)ccc21.
What is the InChIKey of 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone?
The InChIKey is KZEJINABRYVUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(17)12-5-6-14-13(9-12)15(3,4)7-8-16(14)11(2)18/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone?
1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone is sourced from PubChem (CID 14372187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).