3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one

C20H17NO4 — CID 135339943

IUPAC3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESCOc1cccc(OC)c1C(=O)C=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H17NO4/c1-24-17-8-5-9-18(25-2)19(17)16(22)11-10-14-12-13-6-3-4-7-15(13)21-20(14)23/h3-12H,1-2H3,(H,21,23)
InChIKeyXHJJKCWVWHIECO-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.44
Rot. Bonds5

About 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one

3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one (PubChem CID 135339943) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
PubChem CID135339943
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESCOc1cccc(OC)c1C(=O)C=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H17NO4/c1-24-17-8-5-9-18(25-2)19(17)16(22)11-10-14-12-13-6-3-4-7-15(13)21-20(14)23/h3-12H,1-2H3,(H,21,23)
InChIKeyXHJJKCWVWHIECO-UHFFFAOYSA-N
XLogP3.44
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-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

3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one;3-[(E)-3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one;molecular hydrogen
CID 145310284
3-[(E)-3-(5-ethyl-2-methoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 158522066
3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 34904119
(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110423772
3-[(E)-3-(3,4-dihydroxy-5-methoxyphenyl)-3-oxoprop-1-enyl]-7-methoxy-1H-quinolin-2-one
CID 170378129
2-[(E)-3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-5-methoxy-1H-pyridin-4-one
CID 18797596
(E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110627981
3-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 12867118
tert-butyl 4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carboxylate
CID 110605664
3-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135685127
3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid
CID 67740157
(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110426751

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The IUPAC name of 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one (CID 135339943) is 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one is COc1cccc(OC)c1C(=O)C=Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The InChIKey is XHJJKCWVWHIECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-17-8-5-9-18(25-2)19(17)16(22)11-10-14-12-13-6-3-4-7-15(13)21-20(14)23/h3-12H,1-2H3,(H,21,23).
What are the key properties of 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 135339943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).