3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione

C15H13FN2O2 — CID 164563329

IUPAC3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cccc(F)c2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C15H13FN2O2/c1-8-10(9-5-6-14(19)18-15(9)20)7-11-12(16)3-2-4-13(11)17-8/h2-4,7,9H,5-6H2,1H3,(H,18,19,20)
InChIKeyXRPCTUTXNPBJOL-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.20
Rot. Bonds1

About 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione

3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione (PubChem CID 164563329) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
PubChem CID164563329
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cccc(F)c2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C15H13FN2O2/c1-8-10(9-5-6-14(19)18-15(9)20)7-11-12(16)3-2-4-13(11)17-8/h2-4,7,9H,5-6H2,1H3,(H,18,19,20)
InChIKeyXRPCTUTXNPBJOL-UHFFFAOYSA-N
XLogP2.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane
CID 177015948
3-(7-hydroxy-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 166151987
3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione
CID 177017366
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
tert-butyl 5-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methylquinolin-6-yl]-2-azaspiro[5.5]undec-4-ene-2-carboxylate
CID 177016110
ethane;3-[5-fluoro-2-methyl-6-[1-methyl-3-(1,2,4-oxadiazol-5-ylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptan-6-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017064
[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride
CID 175590062
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
CID 170052283
3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione
CID 167071398

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione (CID 164563329) is 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione is Cc1nc2cccc(F)c2cc1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione?
The InChIKey is XRPCTUTXNPBJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-8-10(9-5-6-14(19)18-15(9)20)7-11-12(16)3-2-4-13(11)17-8/h2-4,7,9H,5-6H2,1H3,(H,18,19,20).
What are the key properties of 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione?
3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione has a molecular weight of 272.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 164563329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).