5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one

C14H19NO2 — CID 54775427

IUPAC5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1C(=O)CCN2CC(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-8-7-12(16)14-11(15)5-4-6-13(14)17-3/h4-6,10H,7-9H2,1-3H3
InChIKeyIWXIWABWXYYNLX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.74
Rot. Bonds3

About 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one

5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one (PubChem CID 54775427) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one
PubChem CID54775427
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1C(=O)CCN2CC(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-8-7-12(16)14-11(15)5-4-6-13(14)17-3/h4-6,10H,7-9H2,1-3H3
InChIKeyIWXIWABWXYYNLX-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one (CID 54775427) is 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one is COc1cccc2c1C(=O)CCN2CC(C)C.
What is the InChIKey of 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one?
The InChIKey is IWXIWABWXYYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)9-15-8-7-12(16)14-11(15)5-4-6-13(14)17-3/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one?
5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one has a molecular weight of 233.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methylpropyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 54775427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).