4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one

C14H13ClN2O — CID 168688156

IUPAC4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
SMILESCc1ccc2cc(N3CC(Cl)CC3=O)ccc2n1
InChIInChI=1S/C14H13ClN2O/c1-9-2-3-10-6-12(4-5-13(10)16-9)17-8-11(15)7-14(17)18/h2-6,11H,7-8H2,1H3
InChIKeyDGLNHPCDXIGBAH-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.89
Rot. Bonds1

About 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one

4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one (PubChem CID 168688156) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
PubChem CID168688156
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
SMILESCc1ccc2cc(N3CC(Cl)CC3=O)ccc2n1
InChIInChI=1S/C14H13ClN2O/c1-9-2-3-10-6-12(4-5-13(10)16-9)17-8-11(15)7-14(17)18/h2-6,11H,7-8H2,1H3
InChIKeyDGLNHPCDXIGBAH-UHFFFAOYSA-N
XLogP2.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.89
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-chloro-1-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidin-2-one
CID 168688400
1-(2,1,3-benzothiadiazol-5-yl)-4-chloropyrrolidin-2-one
CID 168689724
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168688428
4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one
CID 168688226
4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688103
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
CID 168689243
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
CID 168689225
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one (CID 168688156) is 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one is Cc1ccc2cc(N3CC(Cl)CC3=O)ccc2n1.
What is the InChIKey of 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one?
The InChIKey is DGLNHPCDXIGBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-2-3-10-6-12(4-5-13(10)16-9)17-8-11(15)7-14(17)18/h2-6,11H,7-8H2,1H3.
What are the key properties of 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one?
4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one has a molecular weight of 260.72 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one is sourced from PubChem (CID 168688156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).