methyl 2-(5,7-dichloroquinolin-2-yl)acetate

C12H9Cl2NO2 — CID 82247403

IUPACmethyl 2-(5,7-dichloroquinolin-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C12H9Cl2NO2/c1-17-12(16)6-8-2-3-9-10(14)4-7(13)5-11(9)15-8/h2-5H,6H2,1H3
InChIKeyVUVYSFVYGPQWMT-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.26
Rot. Bonds2

About methyl 2-(5,7-dichloroquinolin-2-yl)acetate

methyl 2-(5,7-dichloroquinolin-2-yl)acetate (PubChem CID 82247403) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is methyl 2-(5,7-dichloroquinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5,7-dichloroquinolin-2-yl)acetate
PubChem CID82247403
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Namemethyl 2-(5,7-dichloroquinolin-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C12H9Cl2NO2/c1-17-12(16)6-8-2-3-9-10(14)4-7(13)5-11(9)15-8/h2-5H,6H2,1H3
InChIKeyVUVYSFVYGPQWMT-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate
CID 171776280
3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine
CID 82247293
methyl 2-[2-(2,4,6-trichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574111
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
CID 82575136
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate
CID 137332580
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
methyl 2-(4-chloro-6-nitro-2-pyridinyl)acetate
CID 133097720
methyl 2-(2-amino-4,6-dichlorophenyl)acetate
CID 131482461
(2,4,6-trichlorophenyl) 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55335110
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,7-dichloroquinolin-2-yl)acetate?
The IUPAC name of methyl 2-(5,7-dichloroquinolin-2-yl)acetate (CID 82247403) is methyl 2-(5,7-dichloroquinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(5,7-dichloroquinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(5,7-dichloroquinolin-2-yl)acetate is COC(=O)Cc1ccc2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of methyl 2-(5,7-dichloroquinolin-2-yl)acetate?
The InChIKey is VUVYSFVYGPQWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-17-12(16)6-8-2-3-9-10(14)4-7(13)5-11(9)15-8/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(5,7-dichloroquinolin-2-yl)acetate?
methyl 2-(5,7-dichloroquinolin-2-yl)acetate has a molecular weight of 270.12 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,7-dichloroquinolin-2-yl)acetate is sourced from PubChem (CID 82247403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).