1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione

C15H13ClN2O2 — CID 60921459

IUPAC1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-15-11(8-10-4-1-2-5-12(10)17-15)9-18-13(19)6-3-7-14(18)20/h1-2,4-5,8H,3,6-7,9H2
InChIKeyCFQCTAWHHDXGOI-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.93
Rot. Bonds2

About 1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione

1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione (PubChem CID 60921459) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione
PubChem CID60921459
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-15-11(8-10-4-1-2-5-12(10)17-15)9-18-13(19)6-3-7-14(18)20/h1-2,4-5,8H,3,6-7,9H2
InChIKeyCFQCTAWHHDXGOI-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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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Related Compounds

3-[(2-chloroquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 60746776
1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 61237931
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
4-[(2-chloroquinolin-3-yl)methyl]-1-methylpiperazin-2-one
CID 64679888
2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline
CID 60669763
1-[(2-chloroquinolin-3-yl)methyl]-4-propylpyrrolidin-2-one
CID 104511613
2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 134098087
(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7594748
3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520323
(2-chloroquinolin-3-yl)methanamine
CID 71748539
(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 29405208
(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133574

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione (CID 60921459) is 1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione is O=C1CCCC(=O)N1Cc1cc2ccccc2nc1Cl.
What is the InChIKey of 1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione?
The InChIKey is CFQCTAWHHDXGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-15-11(8-10-4-1-2-5-12(10)17-15)9-18-13(19)6-3-7-14(18)20/h1-2,4-5,8H,3,6-7,9H2.
What are the key properties of 1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione?
1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione has a molecular weight of 288.73 g/mol, XLogP of 2.93, 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]piperidine-2,6-dione is sourced from PubChem (CID 60921459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).