methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate

C14H14BrNO4 — CID 102942093

IUPACmethyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2c(Br)ccc(OC)c12
InChIInChI=1S/C14H14BrNO4/c1-4-20-11-7-9(14(17)19-3)16-13-8(15)5-6-10(18-2)12(11)13/h5-7H,4H2,1-3H3
InChIKeyKWUQFTXXYBKFSW-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.19
Rot. Bonds4

About methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate

methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate (PubChem CID 102942093) has the molecular formula C14H14BrNO4 and a molecular weight of 340.17 g/mol. Its IUPAC name is methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
PubChem CID102942093
Molecular FormulaC14H14BrNO4
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Namemethyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2c(Br)ccc(OC)c12
InChIInChI=1S/C14H14BrNO4/c1-4-20-11-7-9(14(17)19-3)16-13-8(15)5-6-10(18-2)12(11)13/h5-7H,4H2,1-3H3
InChIKeyKWUQFTXXYBKFSW-UHFFFAOYSA-N
XLogP3.19
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 103416918
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-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942028
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
CID 102941956

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate?
The IUPAC name of methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate (CID 102942093) is methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate is CCOc1cc(C(=O)OC)nc2c(Br)ccc(OC)c12.
What is the InChIKey of methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate?
The InChIKey is KWUQFTXXYBKFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4/c1-4-20-11-7-9(14(17)19-3)16-13-8(15)5-6-10(18-2)12(11)13/h5-7H,4H2,1-3H3.
What are the key properties of methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate?
methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate has a molecular weight of 340.17 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 102942093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).