3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one

C17H21NO2 — CID 103458406

IUPAC3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one
SMILESCCC(CC)C(O)C(=O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H21NO2/c1-4-12(5-2)16(19)17(20)14-8-9-15-13(10-14)7-6-11(3)18-15/h6-10,12,16,19H,4-5H2,1-3H3
InChIKeyQXHNTXUUJHEWHR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.52
Rot. Bonds5

About 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one

3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one (PubChem CID 103458406) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one
PubChem CID103458406
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one
SMILESCCC(CC)C(O)C(=O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H21NO2/c1-4-12(5-2)16(19)17(20)14-8-9-15-13(10-14)7-6-11(3)18-15/h6-10,12,16,19H,4-5H2,1-3H3
InChIKeyQXHNTXUUJHEWHR-UHFFFAOYSA-N
XLogP3.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one?
The IUPAC name of 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one (CID 103458406) is 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one?
The canonical SMILES for 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one is CCC(CC)C(O)C(=O)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one?
The InChIKey is QXHNTXUUJHEWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-12(5-2)16(19)17(20)14-8-9-15-13(10-14)7-6-11(3)18-15/h6-10,12,16,19H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one?
3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one has a molecular weight of 271.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one is sourced from PubChem (CID 103458406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).