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

C17H18BrFN2O2 — CID 177015948

IUPAC3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane
SMILESCC.Cc1nc2ccc(Br)c(F)c2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C15H12BrFN2O2.C2H6/c1-7-9(8-2-5-13(20)19-15(8)21)6-10-12(18-7)4-3-11(16)14(10)17;1-2/h3-4,6,8H,2,5H2,1H3,(H,19,20,21);1-2H3
InChIKeyOUIYRJTZMATFFY-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.99
Rot. Bonds1

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

3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane (PubChem CID 177015948) has the molecular formula C17H18BrFN2O2 and a molecular weight of 381.25 g/mol. Its IUPAC name is 3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane
PubChem CID177015948
Molecular FormulaC17H18BrFN2O2
Molecular Weight381.25 g/mol
Exact Mass380.05
IUPAC Name3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane
SMILESCC.Cc1nc2ccc(Br)c(F)c2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C15H12BrFN2O2.C2H6/c1-7-9(8-2-5-13(20)19-15(8)21)6-10-12(18-7)4-3-11(16)14(10)17;1-2/h3-4,6,8H,2,5H2,1H3,(H,19,20,21);1-2H3
InChIKeyOUIYRJTZMATFFY-UHFFFAOYSA-N
XLogP3.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.99
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-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 164563329
3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione
CID 177017366
3-(7-hydroxy-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 166151987
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
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
[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride
CID 175590062
tert-butyl 2-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinoline-6-carbonyl]amino]acetate
CID 171788885
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017220
3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione
CID 177017584
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane?
The IUPAC name of 3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane (CID 177015948) is 3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane?
The canonical SMILES for 3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane is CC.Cc1nc2ccc(Br)c(F)c2cc1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane?
The InChIKey is OUIYRJTZMATFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2.C2H6/c1-7-9(8-2-5-13(20)19-15(8)21)6-10-12(18-7)4-3-11(16)14(10)17;1-2/h3-4,6,8H,2,5H2,1H3,(H,19,20,21);1-2H3.
What are the key properties of 3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane?
3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane has a molecular weight of 381.25 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane is sourced from PubChem (CID 177015948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).