methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate

C14H13Br2NO4 — CID 103416918

IUPACmethyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2c(Br)cc(Br)c(OC)c12
InChIInChI=1S/C14H13Br2NO4/c1-4-21-10-6-9(14(18)20-3)17-12-7(15)5-8(16)13(19-2)11(10)12/h5-6H,4H2,1-3H3
InChIKeyLXKNJCOJOKYPHC-UHFFFAOYSA-N
MW419.07 g/mol
LogP3.95
Rot. Bonds4

About methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate

methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate (PubChem CID 103416918) has the molecular formula C14H13Br2NO4 and a molecular weight of 419.07 g/mol. Its IUPAC name is methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
PubChem CID103416918
Molecular FormulaC14H13Br2NO4
Molecular Weight419.07 g/mol
Exact Mass416.92
IUPAC Namemethyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2c(Br)cc(Br)c(OC)c12
InChIInChI=1S/C14H13Br2NO4/c1-4-21-10-6-9(14(18)20-3)17-12-7(15)5-8(16)13(19-2)11(10)12/h5-6H,4H2,1-3H3
InChIKeyLXKNJCOJOKYPHC-UHFFFAOYSA-N
XLogP3.95
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.07
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 102942093
methyl 5-bromo-4-ethoxy-6,8-difluoroquinoline-2-carboxylate
CID 102942154
methyl 4-ethoxy-5,7,8-trifluoroquinoline-2-carboxylate
CID 102942041
methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
CID 102941888
methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
CID 102941956
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
ethyl 6,8-dibromo-4-hydrazinyl-5-methoxyquinoline-3-carboxylate
CID 103416812
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 2-bromo-5-ethoxy-4-methylbenzoate
CID 175048680
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864

Frequently Asked Questions

What is the IUPAC name of methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate?
The IUPAC name of methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate (CID 103416918) is methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate is CCOc1cc(C(=O)OC)nc2c(Br)cc(Br)c(OC)c12.
What is the InChIKey of methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate?
The InChIKey is LXKNJCOJOKYPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO4/c1-4-21-10-6-9(14(18)20-3)17-12-7(15)5-8(16)13(19-2)11(10)12/h5-6H,4H2,1-3H3.
What are the key properties of methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate?
methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate has a molecular weight of 419.07 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 103416918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).