2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione

C19H16N2O5S — CID 110424774

IUPAC2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione
SMILESO=C1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C19H16N2O5S/c22-17-9-10-21(16-8-4-3-7-15(16)17)27(25,26)12-11-20-18(23)13-5-1-2-6-14(13)19(20)24/h1-8H,9-12H2
InChIKeyXQBUUPGENPAKBR-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.71
Rot. Bonds4

About 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione

2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione (PubChem CID 110424774) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione
PubChem CID110424774
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione
SMILESO=C1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C19H16N2O5S/c22-17-9-10-21(16-8-4-3-7-15(16)17)27(25,26)12-11-20-18(23)13-5-1-2-6-14(13)19(20)24/h1-8H,9-12H2
InChIKeyXQBUUPGENPAKBR-UHFFFAOYSA-N
XLogP1.71
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione (CID 110424774) is 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione is O=C1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc21.
What is the InChIKey of 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione?
The InChIKey is XQBUUPGENPAKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c22-17-9-10-21(16-8-4-3-7-15(16)17)27(25,26)12-11-20-18(23)13-5-1-2-6-14(13)19(20)24/h1-8H,9-12H2.
What are the key properties of 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione?
2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione has a molecular weight of 384.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 110424774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).