methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate

C13H12ClNO4 — CID 119054849

IUPACmethyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2nc1Cl
InChIInChI=1S/C13H12ClNO4/c1-17-10-5-7-4-8(13(16)19-3)12(14)15-9(7)6-11(10)18-2/h4-6H,1-3H3
InChIKeyLGOWRMVSYDTSHB-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.69
Rot. Bonds3

About methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate

methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate (PubChem CID 119054849) has the molecular formula C13H12ClNO4 and a molecular weight of 281.70 g/mol. Its IUPAC name is methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
PubChem CID119054849
Molecular FormulaC13H12ClNO4
Molecular Weight281.70 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2nc1Cl
InChIInChI=1S/C13H12ClNO4/c1-17-10-5-7-4-8(13(16)19-3)12(14)15-9(7)6-11(10)18-2/h4-6H,1-3H3
InChIKeyLGOWRMVSYDTSHB-UHFFFAOYSA-N
XLogP2.69
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412
methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate
CID 69372859
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
(2-chloro-6,7-dimethoxyquinolin-3-yl)methanol
CID 13482290
methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate
CID 5329284
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
methyl 7-(2-chloroethoxy)-2-(dimethylaminomethylideneamino)-6-methoxyquinoline-3-carboxylate
CID 69372875
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate?
The IUPAC name of methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate (CID 119054849) is methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate is COC(=O)c1cc2cc(OC)c(OC)cc2nc1Cl.
What is the InChIKey of methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate?
The InChIKey is LGOWRMVSYDTSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-17-10-5-7-4-8(13(16)19-3)12(14)15-9(7)6-11(10)18-2/h4-6H,1-3H3.
What are the key properties of methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate?
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate has a molecular weight of 281.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 119054849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).