1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione

C20H18N2O5S — CID 110635566

IUPAC1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
SMILESCc1cccc2c1N(S(=O)(=O)c1ccc(N3C(=O)CCC3=O)cc1)CCC2=O
InChIInChI=1S/C20H18N2O5S/c1-13-3-2-4-16-17(23)11-12-21(20(13)16)28(26,27)15-7-5-14(6-8-15)22-18(24)9-10-19(22)25/h2-8H,9-12H2,1H3
InChIKeyKBLXFDFPCNRGOU-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.43
Rot. Bonds3

About 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione

1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 110635566) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
PubChem CID110635566
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
SMILESCc1cccc2c1N(S(=O)(=O)c1ccc(N3C(=O)CCC3=O)cc1)CCC2=O
InChIInChI=1S/C20H18N2O5S/c1-13-3-2-4-16-17(23)11-12-21(20(13)16)28(26,27)15-7-5-14(6-8-15)22-18(24)9-10-19(22)25/h2-8H,9-12H2,1H3
InChIKeyKBLXFDFPCNRGOU-UHFFFAOYSA-N
XLogP2.43
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.43
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 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione (CID 110635566) is 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione is Cc1cccc2c1N(S(=O)(=O)c1ccc(N3C(=O)CCC3=O)cc1)CCC2=O.
What is the InChIKey of 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is KBLXFDFPCNRGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-13-3-2-4-16-17(23)11-12-21(20(13)16)28(26,27)15-7-5-14(6-8-15)22-18(24)9-10-19(22)25/h2-8H,9-12H2,1H3.
What are the key properties of 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione?
1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 398.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 110635566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).