4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one

C16H19NO3 — CID 14167653

IUPAC4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one
SMILESCOc1cc(=O)n(C)c2c(OCC=C(C)C)cccc12
InChIInChI=1S/C16H19NO3/c1-11(2)8-9-20-13-7-5-6-12-14(19-4)10-15(18)17(3)16(12)13/h5-8,10H,9H2,1-4H3
InChIKeyOBHOLRHOVYMUCH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.89
Rot. Bonds4

About 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one

4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one (PubChem CID 14167653) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one
PubChem CID14167653
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one
SMILESCOc1cc(=O)n(C)c2c(OCC=C(C)C)cccc12
InChIInChI=1S/C16H19NO3/c1-11(2)8-9-20-13-7-5-6-12-14(19-4)10-15(18)17(3)16(12)13/h5-8,10H,9H2,1-4H3
InChIKeyOBHOLRHOVYMUCH-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 1504717
Daa-1106 C-11
CID 5458184
N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 10430788
Foliosidine
CID 2837663
8-Methoxy-4-methylquinolin-2(1H)-one
CID 782123
8-Methoxy-1,4-dimethyl-1h-quinolin-2-one
CID 5324988
Pbr-06 F-18
CID 11696868
6,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 42618031
Fedaa-1106
CID 9845414
Pbr-06
CID 25208880
8-Hydroxy-4-methoxy-1-methylquinolin-2-one
CID 776146
Edulitine
CID 826073

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one?
The IUPAC name of 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one (CID 14167653) is 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one is COc1cc(=O)n(C)c2c(OCC=C(C)C)cccc12.
What is the InChIKey of 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one?
The InChIKey is OBHOLRHOVYMUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(2)8-9-20-13-7-5-6-12-14(19-4)10-15(18)17(3)16(12)13/h5-8,10H,9H2,1-4H3.
What are the key properties of 4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one?
4-methoxy-1-methyl-8-(3-methylbut-2-enoxy)quinolin-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.89, 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-8-(3-methylbut-2-enoxy)quinolin-2-one is sourced from PubChem (CID 14167653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).