1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione

C16H15BrN2O3 — CID 44512898

IUPAC1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(O)C(Br)Cc1ccc2ncccc2c1
InChIInChI=1S/C16H15BrN2O3/c17-12(16(22)19-14(20)5-6-15(19)21)9-10-3-4-13-11(8-10)2-1-7-18-13/h1-4,7-8,12,16,22H,5-6,9H2
InChIKeyXQICLDVOGLSMHO-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.01
Rot. Bonds4

About 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione

1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione (PubChem CID 44512898) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione
PubChem CID44512898
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(O)C(Br)Cc1ccc2ncccc2c1
InChIInChI=1S/C16H15BrN2O3/c17-12(16(22)19-14(20)5-6-15(19)21)9-10-3-4-13-11(8-10)2-1-7-18-13/h1-4,7-8,12,16,22H,5-6,9H2
InChIKeyXQICLDVOGLSMHO-UHFFFAOYSA-N
XLogP2.01
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione (CID 44512898) is 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1C(O)C(Br)Cc1ccc2ncccc2c1.
What is the InChIKey of 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione?
The InChIKey is XQICLDVOGLSMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c17-12(16(22)19-14(20)5-6-15(19)21)9-10-3-4-13-11(8-10)2-1-7-18-13/h1-4,7-8,12,16,22H,5-6,9H2.
What are the key properties of 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione?
1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione has a molecular weight of 363.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 44512898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).