methyl 6,8-dichloro-2-methylquinoline-4-carboxylate

C12H9Cl2NO2 — CID 82574672

IUPACmethyl 6,8-dichloro-2-methylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C12H9Cl2NO2/c1-6-3-9(12(16)17-2)8-4-7(13)5-10(14)11(8)15-6/h3-5H,1-2H3
InChIKeyDDEJJIYLBWEFIJ-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.64
Rot. Bonds1

About methyl 6,8-dichloro-2-methylquinoline-4-carboxylate

methyl 6,8-dichloro-2-methylquinoline-4-carboxylate (PubChem CID 82574672) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is methyl 6,8-dichloro-2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6,8-dichloro-2-methylquinoline-4-carboxylate
PubChem CID82574672
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Namemethyl 6,8-dichloro-2-methylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C12H9Cl2NO2/c1-6-3-9(12(16)17-2)8-4-7(13)5-10(14)11(8)15-6/h3-5H,1-2H3
InChIKeyDDEJJIYLBWEFIJ-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574673
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379
dimethyl 6-chloro-8-fluoroquinoline-2,4-dicarboxylate
CID 118170889
6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
CID 154201700
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol
CID 82449382
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate
CID 82578256
6,8-dichloro-2-methylquinoline-4-carbonitrile
CID 82449362
carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
CID 158534965

Frequently Asked Questions

What is the IUPAC name of methyl 6,8-dichloro-2-methylquinoline-4-carboxylate?
The IUPAC name of methyl 6,8-dichloro-2-methylquinoline-4-carboxylate (CID 82574672) is methyl 6,8-dichloro-2-methylquinoline-4-carboxylate.
What is the SMILES notation for methyl 6,8-dichloro-2-methylquinoline-4-carboxylate?
The canonical SMILES for methyl 6,8-dichloro-2-methylquinoline-4-carboxylate is COC(=O)c1cc(C)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of methyl 6,8-dichloro-2-methylquinoline-4-carboxylate?
The InChIKey is DDEJJIYLBWEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-6-3-9(12(16)17-2)8-4-7(13)5-10(14)11(8)15-6/h3-5H,1-2H3.
What are the key properties of methyl 6,8-dichloro-2-methylquinoline-4-carboxylate?
methyl 6,8-dichloro-2-methylquinoline-4-carboxylate has a molecular weight of 270.12 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,8-dichloro-2-methylquinoline-4-carboxylate is sourced from PubChem (CID 82574672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).