1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one

C20H17NO3 — CID 145263310

IUPAC1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one
SMILESC=CC(=O)COc1ccc(-c2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C20H17NO3/c1-3-16(22)13-24-17-10-8-14(9-11-17)18-12-15-6-4-5-7-19(15)21(2)20(18)23/h3-12H,1,13H2,2H3
InChIKeyXPQNHZCAFTVOHC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.34
Rot. Bonds5

About 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one

1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one (PubChem CID 145263310) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one
PubChem CID145263310
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one
SMILESC=CC(=O)COc1ccc(-c2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C20H17NO3/c1-3-16(22)13-24-17-10-8-14(9-11-17)18-12-15-6-4-5-7-19(15)21(2)20(18)23/h3-12H,1,13H2,2H3
InChIKeyXPQNHZCAFTVOHC-UHFFFAOYSA-N
XLogP3.34
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]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

1-methyl-3-[4-(13-oxopentadec-14-enoxy)phenyl]quinolin-2-one
CID 134597004
3-[4-(13-oxopentadec-14-enoxy)phenyl]-1-pentylquinolin-2-one
CID 134597003
3-[4-(ethenoxymethoxy)phenyl]-1-methylquinoline-2-thione
CID 126640641
[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate
CID 153303390
3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
CID 90778369
ethenol;1-methyl-3-[4-(2-methylbutan-2-yloxy)phenyl]quinoline-2-thione
CID 145263299
[4,4-difluoro-7-[4-(1-methylindol-2-yl)phenoxy]heptyl] prop-2-enoate
CID 146391181
3-(furan-2-yl)-1-methylquinolin-2-one
CID 15733006
6-hydroxy-1-methyl-3-phenylquinolin-2-one
CID 126596648
ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
CID 13180335
2-bromoethanol;3-[4-(hydroxymethoxy)phenyl]-1-propan-2-ylquinolin-2-one;3-(4-hydroxyphenyl)-1-propan-2-ylquinolin-2-one
CID 157407057
1-hydroxy-3-naphthalen-2-ylquinolin-2-one
CID 118719511

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one (CID 145263310) is 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one is C=CC(=O)COc1ccc(-c2cc3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one?
The InChIKey is XPQNHZCAFTVOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-3-16(22)13-24-17-10-8-14(9-11-17)18-12-15-6-4-5-7-19(15)21(2)20(18)23/h3-12H,1,13H2,2H3.
What are the key properties of 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one?
1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one is sourced from PubChem (CID 145263310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).