6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one

C18H19NO2 — CID 63107073

IUPAC6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)Cc3ccccc3)ccc21
InChIInChI=1S/C18H19NO2/c1-19-16-9-7-15(12-14(16)8-10-18(19)21)17(20)11-13-5-3-2-4-6-13/h2-7,9,12,17,20H,8,10-11H2,1H3
InChIKeyJYDKQDPLNQNPOY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.87
Rot. Bonds3

About 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63107073) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63107073
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)Cc3ccccc3)ccc21
InChIInChI=1S/C18H19NO2/c1-19-16-9-7-15(12-14(16)8-10-18(19)21)17(20)11-13-5-3-2-4-6-13/h2-7,9,12,17,20H,8,10-11H2,1H3
InChIKeyJYDKQDPLNQNPOY-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 63107073) is 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(O)Cc3ccccc3)ccc21.
What is the InChIKey of 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is JYDKQDPLNQNPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-16-9-7-15(12-14(16)8-10-18(19)21)17(20)11-13-5-3-2-4-6-13/h2-7,9,12,17,20H,8,10-11H2,1H3.
What are the key properties of 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63107073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).