6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one

C13H15NO2 — CID 5087320

IUPAC6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)c1ccc2c(c1)CC(C)C(=O)N2C
InChIInChI=1S/C13H15NO2/c1-8-6-11-7-10(9(2)15)4-5-12(11)14(3)13(8)16/h4-5,7-8H,6H2,1-3H3
InChIKeyFJXQXDFDOBGEKQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.04
Rot. Bonds1

About 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one

6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 5087320) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID5087320
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)c1ccc2c(c1)CC(C)C(=O)N2C
InChIInChI=1S/C13H15NO2/c1-8-6-11-7-10(9(2)15)4-5-12(11)14(3)13(8)16/h4-5,7-8H,6H2,1-3H3
InChIKeyFJXQXDFDOBGEKQ-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one (CID 5087320) is 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one is CC(=O)c1ccc2c(c1)CC(C)C(=O)N2C.
What is the InChIKey of 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is FJXQXDFDOBGEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-6-11-7-10(9(2)15)4-5-12(11)14(3)13(8)16/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one?
6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1,3-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 5087320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).