3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one

C18H17NO2 — CID 16641429

IUPAC3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(O)Cc2ccccc2)cc2ccccc21
InChIInChI=1S/C18H17NO2/c1-19-16-10-6-5-9-14(16)12-15(18(19)21)17(20)11-13-7-3-2-4-8-13/h2-10,12,17,20H,11H2,1H3
InChIKeyRJQOGCKLDYBMMN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.81
Rot. Bonds3

About 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one

3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one (PubChem CID 16641429) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one
PubChem CID16641429
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(O)Cc2ccccc2)cc2ccccc21
InChIInChI=1S/C18H17NO2/c1-19-16-10-6-5-9-14(16)12-15(18(19)21)17(20)11-13-7-3-2-4-8-13/h2-10,12,17,20H,11H2,1H3
InChIKeyRJQOGCKLDYBMMN-UHFFFAOYSA-N
XLogP2.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one?
The IUPAC name of 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one (CID 16641429) is 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one.
What is the SMILES notation for 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one?
The canonical SMILES for 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one is Cn1c(=O)c(C(O)Cc2ccccc2)cc2ccccc21.
What is the InChIKey of 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one?
The InChIKey is RJQOGCKLDYBMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-16-10-6-5-9-14(16)12-15(18(19)21)17(20)11-13-7-3-2-4-8-13/h2-10,12,17,20H,11H2,1H3.
What are the key properties of 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one?
3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one is sourced from PubChem (CID 16641429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).