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

C12H13NO2 — CID 14476552

IUPAC6-acetyl-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C12H13NO2/c1-8(14)9-3-5-11-10(7-9)4-6-12(15)13(11)2/h3,5,7H,4,6H2,1-2H3
InChIKeyBCUZEZZKMXBBCT-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.80
Rot. Bonds1

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

6-acetyl-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 14476552) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-acetyl-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-acetyl-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID14476552
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-acetyl-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C12H13NO2/c1-8(14)9-3-5-11-10(7-9)4-6-12(15)13(11)2/h3,5,7H,4,6H2,1-2H3
InChIKeyBCUZEZZKMXBBCT-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-acetyl-1-methyl-3,4-dihydroquinolin-2-one (CID 14476552) is 6-acetyl-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-acetyl-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-acetyl-1-methyl-3,4-dihydroquinolin-2-one is CC(=O)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-acetyl-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is BCUZEZZKMXBBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)9-3-5-11-10(7-9)4-6-12(15)13(11)2/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 6-acetyl-1-methyl-3,4-dihydroquinolin-2-one?
6-acetyl-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14476552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).