1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione

C20H20N2O4S — CID 110415887

IUPAC1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
SMILESCC1Cc2ccccc2N(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1
InChIInChI=1S/C20H20N2O4S/c1-14-12-15-4-2-3-5-18(15)21(13-14)27(25,26)17-8-6-16(7-9-17)22-19(23)10-11-20(22)24/h2-9,14H,10-13H2,1H3
InChIKeyFSMHUYSBHFTLDG-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.73
Rot. Bonds3

About 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione

1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 110415887) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
PubChem CID110415887
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
SMILESCC1Cc2ccccc2N(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1
InChIInChI=1S/C20H20N2O4S/c1-14-12-15-4-2-3-5-18(15)21(13-14)27(25,26)17-8-6-16(7-9-17)22-19(23)10-11-20(22)24/h2-9,14H,10-13H2,1H3
InChIKeyFSMHUYSBHFTLDG-UHFFFAOYSA-N
XLogP2.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione (CID 110415887) is 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione is CC1Cc2ccccc2N(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1.
What is the InChIKey of 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is FSMHUYSBHFTLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-14-12-15-4-2-3-5-18(15)21(13-14)27(25,26)17-8-6-16(7-9-17)22-19(23)10-11-20(22)24/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione?
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 384.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 110415887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).