methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate

C12H9Cl2NO3 — CID 39234899

IUPACmethyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(=O)c2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C12H9Cl2NO3/c1-18-11(17)5-7-4-10(16)8-2-6(13)3-9(14)12(8)15-7/h2-4H,5H2,1H3,(H,15,16)
InChIKeyMUZXYOIGJGKSIZ-UHFFFAOYSA-N
MW286.11 g/mol
LogP2.55
Rot. Bonds2

About methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate

methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate (PubChem CID 39234899) has the molecular formula C12H9Cl2NO3 and a molecular weight of 286.11 g/mol. Its IUPAC name is methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
PubChem CID39234899
Molecular FormulaC12H9Cl2NO3
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Namemethyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(=O)c2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C12H9Cl2NO3/c1-18-11(17)5-7-4-10(16)8-2-6(13)3-9(14)12(8)15-7/h2-4H,5H2,1H3,(H,15,16)
InChIKeyMUZXYOIGJGKSIZ-UHFFFAOYSA-N
XLogP2.55
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 39234890
2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid
CID 82244994
methyl 2-[6-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134679042
8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 62318813
6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43668304
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 54542343
methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate
CID 70404350
methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134662054
methyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetate
CID 7063826
methyl 2-(2-amino-4,6-dichlorophenyl)acetate
CID 131482461
methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
CID 11184556

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate?
The IUPAC name of methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate (CID 39234899) is methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate is COC(=O)Cc1cc(=O)c2cc(Cl)cc(Cl)c2[nH]1.
What is the InChIKey of methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate?
The InChIKey is MUZXYOIGJGKSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3/c1-18-11(17)5-7-4-10(16)8-2-6(13)3-9(14)12(8)15-7/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate?
methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate has a molecular weight of 286.11 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate is sourced from PubChem (CID 39234899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).