methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate

C13H12BrNO3 — CID 46397809

IUPACmethyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H12BrNO3/c1-8-5-12(16)10-6-9(14)3-4-11(10)15(8)7-13(17)18-2/h3-6H,7H2,1-2H3
InChIKeyJFKDJEXVPYPROZ-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.25
Rot. Bonds2

About methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate

methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate (PubChem CID 46397809) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate
PubChem CID46397809
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Namemethyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H12BrNO3/c1-8-5-12(16)10-6-9(14)3-4-11(10)15(8)7-13(17)18-2/h3-6H,7H2,1-2H3
InChIKeyJFKDJEXVPYPROZ-UHFFFAOYSA-N
XLogP2.25
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide
CID 1310883
methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate
CID 46397823
N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849595
tert-butyl 5-bromo-3-(2-methoxy-2-oxoethyl)-2-oxobenzimidazole-1-carboxylate
CID 177355080
methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate
CID 99991412
methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate
CID 57418680
methyl 2-(4-methyl-2-oxoquinolin-1-yl)acetate
CID 39767914
methyl 2-carbazol-9-ylacetate
CID 3745219
2-(6-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 1417073
methyl 2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetate
CID 83946726
methyl 2-(5-bromo-1-methylindazol-3-yl)acetate
CID 129278070
methyl 2-[6-bromo-2-(2,2-dimethylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
CID 4181003

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate (CID 46397809) is methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate is COC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21.
What is the InChIKey of methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate?
The InChIKey is JFKDJEXVPYPROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-8-5-12(16)10-6-9(14)3-4-11(10)15(8)7-13(17)18-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate?
methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate has a molecular weight of 310.15 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 46397809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).