4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one

C15H17NO4 — CID 19926889

IUPAC4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one
SMILESCOc1c(C(=O)C(C)C)c(=O)[nH]c2c(OC)cccc12
InChIInChI=1S/C15H17NO4/c1-8(2)13(17)11-14(20-4)9-6-5-7-10(19-3)12(9)16-15(11)18/h5-8H,1-4H3,(H,16,18)
InChIKeyKXWMHOSWPSFGQQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.38
Rot. Bonds4

About 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one

4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one (PubChem CID 19926889) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one
PubChem CID19926889
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one
SMILESCOc1c(C(=O)C(C)C)c(=O)[nH]c2c(OC)cccc12
InChIInChI=1S/C15H17NO4/c1-8(2)13(17)11-14(20-4)9-6-5-7-10(19-3)12(9)16-15(11)18/h5-8H,1-4H3,(H,16,18)
InChIKeyKXWMHOSWPSFGQQ-UHFFFAOYSA-N
XLogP2.38
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279193
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one
CID 54683181
7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
CID 12724106
2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 96675267
4,5-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 123546293
8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
CID 117261904
2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one
CID 82279196
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
4-amino-8-methoxy-1H-quinazolin-2-one
CID 25152155
(3-acetyl-2-oxo-8-propan-2-yl-1H-quinolin-4-yl) methyl sulfate
CID 19926894

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one?
The IUPAC name of 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one (CID 19926889) is 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one.
What is the SMILES notation for 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one?
The canonical SMILES for 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one is COc1c(C(=O)C(C)C)c(=O)[nH]c2c(OC)cccc12.
What is the InChIKey of 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one?
The InChIKey is KXWMHOSWPSFGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-8(2)13(17)11-14(20-4)9-6-5-7-10(19-3)12(9)16-15(11)18/h5-8H,1-4H3,(H,16,18).
What are the key properties of 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one?
4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one has a molecular weight of 275.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one is sourced from PubChem (CID 19926889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).