4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one

C16H19NO3 — CID 10778640

IUPAC4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one
SMILESCOc1c(CC(=O)C(C)C)c(=O)n(C)c2ccccc12
InChIInChI=1S/C16H19NO3/c1-10(2)14(18)9-12-15(20-4)11-7-5-6-8-13(11)17(3)16(12)19/h5-8,10H,9H2,1-4H3
InChIKeyYXGHKWZVZFYPKC-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.31
Rot. Bonds4

About 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one

4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one (PubChem CID 10778640) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one
PubChem CID10778640
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one
SMILESCOc1c(CC(=O)C(C)C)c(=O)n(C)c2ccccc12
InChIInChI=1S/C16H19NO3/c1-10(2)14(18)9-12-15(20-4)11-7-5-6-8-13(11)17(3)16(12)19/h5-8,10H,9H2,1-4H3
InChIKeyYXGHKWZVZFYPKC-UHFFFAOYSA-N
XLogP2.31
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one?
The IUPAC name of 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one (CID 10778640) is 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one is COc1c(CC(=O)C(C)C)c(=O)n(C)c2ccccc12.
What is the InChIKey of 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one?
The InChIKey is YXGHKWZVZFYPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)14(18)9-12-15(20-4)11-7-5-6-8-13(11)17(3)16(12)19/h5-8,10H,9H2,1-4H3.
What are the key properties of 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one?
4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one is sourced from PubChem (CID 10778640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).