4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one

C17H21NO4 — CID 11278088

IUPAC4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one
SMILESCOc1c(CC(=O)C(C)C)c(=O)n(C)c2c(OC)cccc12
InChIInChI=1S/C17H21NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,10H,9H2,1-5H3
InChIKeyDIUJWBJYQHUELV-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.32
Rot. Bonds5

About 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one

4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one (PubChem CID 11278088) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one.

Molecular Properties

Compound Name4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one
PubChem CID11278088
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one
SMILESCOc1c(CC(=O)C(C)C)c(=O)n(C)c2c(OC)cccc12
InChIInChI=1S/C17H21NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,10H,9H2,1-5H3
InChIKeyDIUJWBJYQHUELV-UHFFFAOYSA-N
XLogP2.32
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one?
The IUPAC name of 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one (CID 11278088) is 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one.
What is the SMILES notation for 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one?
The canonical SMILES for 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one is COc1c(CC(=O)C(C)C)c(=O)n(C)c2c(OC)cccc12.
What is the InChIKey of 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one?
The InChIKey is DIUJWBJYQHUELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,10H,9H2,1-5H3.
What are the key properties of 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one?
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one is sourced from PubChem (CID 11278088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).