methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate

C13H12FNO2 — CID 70983319

IUPACmethyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate
SMILESCOC(=O)Cc1cc2nc(C)ccc2cc1F
InChIInChI=1S/C13H12FNO2/c1-8-3-4-9-5-11(14)10(6-12(9)15-8)7-13(16)17-2/h3-6H,7H2,1-2H3
InChIKeyAFYQZGHVMWDJQV-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.40
Rot. Bonds2

About methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate

methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate (PubChem CID 70983319) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate
PubChem CID70983319
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Namemethyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate
SMILESCOC(=O)Cc1cc2nc(C)ccc2cc1F
InChIInChI=1S/C13H12FNO2/c1-8-3-4-9-5-11(14)10(6-12(9)15-8)7-13(16)17-2/h3-6H,7H2,1-2H3
InChIKeyAFYQZGHVMWDJQV-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845
methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate
CID 82575079
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate
CID 82244958
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate
CID 91881338
methyl 2-(4-cyano-2,5-difluorophenyl)acetate
CID 86694454
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
7-fluoro-2,6-dimethylquinoline
CID 143814242
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate
CID 131168247
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
2-chloro-1-(7-methoxy-2-methylquinolin-6-yl)ethanone
CID 158346226

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate?
The IUPAC name of methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate (CID 70983319) is methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate.
What is the SMILES notation for methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate?
The canonical SMILES for methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate is COC(=O)Cc1cc2nc(C)ccc2cc1F.
What is the InChIKey of methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate?
The InChIKey is AFYQZGHVMWDJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-8-3-4-9-5-11(14)10(6-12(9)15-8)7-13(16)17-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate?
methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate has a molecular weight of 233.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate is sourced from PubChem (CID 70983319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).