methyl 4,6-dichloro-8-methylquinoline-3-carboxylate

C12H9Cl2NO2 — CID 102614436

IUPACmethyl 4,6-dichloro-8-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Cl
InChIInChI=1S/C12H9Cl2NO2/c1-6-3-7(13)4-8-10(14)9(12(16)17-2)5-15-11(6)8/h3-5H,1-2H3
InChIKeyHOEFLHNZRWXKQX-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.64
Rot. Bonds1

About methyl 4,6-dichloro-8-methylquinoline-3-carboxylate

methyl 4,6-dichloro-8-methylquinoline-3-carboxylate (PubChem CID 102614436) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is methyl 4,6-dichloro-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloro-8-methylquinoline-3-carboxylate
PubChem CID102614436
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Namemethyl 4,6-dichloro-8-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Cl
InChIInChI=1S/C12H9Cl2NO2/c1-6-3-7(13)4-8-10(14)9(12(16)17-2)5-15-11(6)8/h3-5H,1-2H3
InChIKeyHOEFLHNZRWXKQX-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 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
CID 82574609
methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
6-chloro-4-methoxy-3,8-dimethylquinoline
CID 129268371
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloro-8-methylquinoline-3-carboxylate?
The IUPAC name of methyl 4,6-dichloro-8-methylquinoline-3-carboxylate (CID 102614436) is methyl 4,6-dichloro-8-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4,6-dichloro-8-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 4,6-dichloro-8-methylquinoline-3-carboxylate is COC(=O)c1cnc2c(C)cc(Cl)cc2c1Cl.
What is the InChIKey of methyl 4,6-dichloro-8-methylquinoline-3-carboxylate?
The InChIKey is HOEFLHNZRWXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-6-3-7(13)4-8-10(14)9(12(16)17-2)5-15-11(6)8/h3-5H,1-2H3.
What are the key properties of methyl 4,6-dichloro-8-methylquinoline-3-carboxylate?
methyl 4,6-dichloro-8-methylquinoline-3-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 4,6-dichloro-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 102614436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).