2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione

C20H16N2O4 — CID 110635478

IUPAC2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cccc2c1N(C(=O)CN1C(=O)c3ccccc3C1=O)CCC2=O
InChIInChI=1S/C20H16N2O4/c1-12-5-4-8-15-16(23)9-10-21(18(12)15)17(24)11-22-19(25)13-6-2-3-7-14(13)20(22)26/h2-8H,9-11H2,1H3
InChIKeyOPUOFVNFLWWNDK-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.21
Rot. Bonds2

About 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 110635478) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID110635478
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cccc2c1N(C(=O)CN1C(=O)c3ccccc3C1=O)CCC2=O
InChIInChI=1S/C20H16N2O4/c1-12-5-4-8-15-16(23)9-10-21(18(12)15)17(24)11-22-19(25)13-6-2-3-7-14(13)20(22)26/h2-8H,9-11H2,1H3
InChIKeyOPUOFVNFLWWNDK-UHFFFAOYSA-N
XLogP2.21
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione with MolForge

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Related Compounds

1-acetyl-8-methyl-2,3-dihydroquinolin-4-one
CID 110635435
1-[2-(2-methoxyphenoxy)acetyl]-8-methyl-2,3-dihydroquinolin-4-one
CID 110635495
2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110635632
8-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110635490
8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110635496
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 679781
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2437704
2-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110365431
1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 112835829

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 110635478) is 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione is Cc1cccc2c1N(C(=O)CN1C(=O)c3ccccc3C1=O)CCC2=O.
What is the InChIKey of 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is OPUOFVNFLWWNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-12-5-4-8-15-16(23)9-10-21(18(12)15)17(24)11-22-19(25)13-6-2-3-7-14(13)20(22)26/h2-8H,9-11H2,1H3.
What are the key properties of 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 348.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 110635478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).