2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione

C20H16N2O5 — CID 110635632

IUPAC2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCOc1ccc2c(c1)N(C(=O)CN1C(=O)c3ccccc3C1=O)CCC2=O
InChIInChI=1S/C20H16N2O5/c1-27-12-6-7-15-16(10-12)21(9-8-17(15)23)18(24)11-22-19(25)13-4-2-3-5-14(13)20(22)26/h2-7,10H,8-9,11H2,1H3
InChIKeyHHHZJHLCGBMECS-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.91
Rot. Bonds3

About 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 110635632) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID110635632
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCOc1ccc2c(c1)N(C(=O)CN1C(=O)c3ccccc3C1=O)CCC2=O
InChIInChI=1S/C20H16N2O5/c1-27-12-6-7-15-16(10-12)21(9-8-17(15)23)18(24)11-22-19(25)13-4-2-3-5-14(13)20(22)26/h2-7,10H,8-9,11H2,1H3
InChIKeyHHHZJHLCGBMECS-UHFFFAOYSA-N
XLogP1.91
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione with MolForge

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Related Compounds

1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110635478
1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635603
1-(3-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635602
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
CID 110635212
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoindole-1,3-dione
CID 18776691
4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2437704
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 2346726
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione
CID 2207715
2-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 55661378
2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 3346570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 110635632) is 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione is COc1ccc2c(c1)N(C(=O)CN1C(=O)c3ccccc3C1=O)CCC2=O.
What is the InChIKey of 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is HHHZJHLCGBMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-27-12-6-7-15-16(10-12)21(9-8-17(15)23)18(24)11-22-19(25)13-4-2-3-5-14(13)20(22)26/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 364.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 110635632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).