3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one

C13H13NO3 — CID 139937848

IUPAC3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(C)c(C(C)=O)c(=O)c2c1
InChIInChI=1S/C13H13NO3/c1-7-12(8(2)15)13(16)10-6-9(17-3)4-5-11(10)14-7/h4-6H,1-3H3,(H,14,16)
InChIKeyFUKZEYNLRXJAMH-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds2

About 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one

3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 139937848) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID139937848
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(C)c(C(C)=O)c(=O)c2c1
InChIInChI=1S/C13H13NO3/c1-7-12(8(2)15)13(16)10-6-9(17-3)4-5-11(10)14-7/h4-6H,1-3H3,(H,14,16)
InChIKeyFUKZEYNLRXJAMH-UHFFFAOYSA-N
XLogP2.05
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one
CID 171365735
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
CID 11218944
2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 69315136
2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 123676378
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714980
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one (CID 139937848) is 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one is COc1ccc2[nH]c(C)c(C(C)=O)c(=O)c2c1.
What is the InChIKey of 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is FUKZEYNLRXJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-7-12(8(2)15)13(16)10-6-9(17-3)4-5-11(10)14-7/h4-6H,1-3H3,(H,14,16).
What are the key properties of 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one?
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 231.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 139937848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).