1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione

C15H13ClN2O2 — CID 61237931

IUPAC1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C15H13ClN2O2/c1-9-6-13(19)18(15(9)20)8-11-7-10-4-2-3-5-12(10)17-14(11)16/h2-5,7,9H,6,8H2,1H3
InChIKeyWBRWOYCUHXGDEL-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.78
Rot. Bonds2

About 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione

1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 61237931) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID61237931
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C15H13ClN2O2/c1-9-6-13(19)18(15(9)20)8-11-7-10-4-2-3-5-12(10)17-14(11)16/h2-5,7,9H,6,8H2,1H3
InChIKeyWBRWOYCUHXGDEL-UHFFFAOYSA-N
XLogP2.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione (CID 61237931) is 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O.
What is the InChIKey of 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is WBRWOYCUHXGDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-9-6-13(19)18(15(9)20)8-11-7-10-4-2-3-5-12(10)17-14(11)16/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione?
1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 288.73 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61237931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).