4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one

C15H15BrN2O — CID 168504513

IUPAC4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one
SMILESCc1ccc2cccc(N3CC(CBr)CC3=O)c2n1
InChIInChI=1S/C15H15BrN2O/c1-10-5-6-12-3-2-4-13(15(12)17-10)18-9-11(8-16)7-14(18)19/h2-6,11H,7-9H2,1H3
InChIKeyNRWHVHOIUZRBBO-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.29
Rot. Bonds2

About 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one (PubChem CID 168504513) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one
PubChem CID168504513
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one
SMILESCc1ccc2cccc(N3CC(CBr)CC3=O)c2n1
InChIInChI=1S/C15H15BrN2O/c1-10-5-6-12-3-2-4-13(15(12)17-10)18-9-11(8-16)7-14(18)19/h2-6,11H,7-9H2,1H3
InChIKeyNRWHVHOIUZRBBO-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(2-bromo-3-methylphenyl)pyrrolidin-2-one
CID 168504687
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
4-(bromomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 168504686
4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
CID 168504286
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N,2-dimethylbenzamide
CID 168504361
4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168505915
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 168504648
4-(bromomethyl)-1-(2,6-diethylphenyl)pyrrolidin-2-one
CID 168503911
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
1-(2-bromo-6-methoxy-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504219

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one (CID 168504513) is 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one is Cc1ccc2cccc(N3CC(CBr)CC3=O)c2n1.
What is the InChIKey of 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one?
The InChIKey is NRWHVHOIUZRBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-5-6-12-3-2-4-13(15(12)17-10)18-9-11(8-16)7-14(18)19/h2-6,11H,7-9H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one has a molecular weight of 319.20 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one is sourced from PubChem (CID 168504513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).