(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione

C20H16N2O2 — CID 744203

IUPAC(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccccc2)C(=O)N1c1ccc2ccccc2n1
InChIInChI=1S/C20H16N2O2/c23-19-13-16(12-14-6-2-1-3-7-14)20(24)22(19)18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyFIKVRLCFCPTUCS-INIZCTEOSA-N
MW316.36 g/mol
LogP3.36
Rot. Bonds3

About (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione

(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione (PubChem CID 744203) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione
PubChem CID744203
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccccc2)C(=O)N1c1ccc2ccccc2n1
InChIInChI=1S/C20H16N2O2/c23-19-13-16(12-14-6-2-1-3-7-14)20(24)22(19)18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyFIKVRLCFCPTUCS-INIZCTEOSA-N
XLogP3.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione
CID 2893153
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
(3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione
CID 27105753
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1212986
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
(3R)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969674
(3S)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969675
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
(3S)-1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
CID 1079268
3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864
(3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846260

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione (CID 744203) is (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione is O=C1C[C@H](Cc2ccccc2)C(=O)N1c1ccc2ccccc2n1.
What is the InChIKey of (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione?
The InChIKey is FIKVRLCFCPTUCS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-13-16(12-14-6-2-1-3-7-14)20(24)22(19)18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2/t16-/m0/s1.
What are the key properties of (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione?
(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione has a molecular weight of 316.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 744203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).