methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate

C13H12ClNO2 — CID 82574609

IUPACmethyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(C)c2cc(Cl)cc(C)c2n1
InChIInChI=1S/C13H12ClNO2/c1-7-5-11(13(16)17-3)15-12-8(2)4-9(14)6-10(7)12/h4-6H,1-3H3
InChIKeyKDEZRPXNPOCPRJ-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.29
Rot. Bonds1

About methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate

methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate (PubChem CID 82574609) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
PubChem CID82574609
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Namemethyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(C)c2cc(Cl)cc(C)c2n1
InChIInChI=1S/C13H12ClNO2/c1-7-5-11(13(16)17-3)15-12-8(2)4-9(14)6-10(7)12/h4-6H,1-3H3
InChIKeyKDEZRPXNPOCPRJ-UHFFFAOYSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602
dimethyl 6-chloro-8-fluoroquinoline-2,4-dicarboxylate
CID 118170889
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
CID 158534965
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 4,5,8-trichloro-6-methylquinoline-2-carboxylate
CID 113445998
methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
CID 142582005
methyl 1-chloro-7-fluoro-5-methylisoquinoline-3-carboxylate
CID 114517179
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
methyl 6-chloro-8-iodoquinoline-2-carboxylate
CID 107629381
methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate
CID 24806260
methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate?
The IUPAC name of methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate (CID 82574609) is methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate?
The canonical SMILES for methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate is COC(=O)c1cc(C)c2cc(Cl)cc(C)c2n1.
What is the InChIKey of methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate?
The InChIKey is KDEZRPXNPOCPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-7-5-11(13(16)17-3)15-12-8(2)4-9(14)6-10(7)12/h4-6H,1-3H3.
What are the key properties of methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate?
methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate has a molecular weight of 249.70 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate is sourced from PubChem (CID 82574609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).