methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate

C12H10BrNO4 — CID 59340050

IUPACmethyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(O)c2ccc(Br)cc2n(C)c1=O
InChIInChI=1S/C12H10BrNO4/c1-14-8-5-6(13)3-4-7(8)10(15)9(11(14)16)12(17)18-2/h3-5,15H,1-2H3
InChIKeyXWKZJTBXSQLOTP-UHFFFAOYSA-N
MW312.12 g/mol
LogP1.79
Rot. Bonds1

About methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate

methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 59340050) has the molecular formula C12H10BrNO4 and a molecular weight of 312.12 g/mol. Its IUPAC name is methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
PubChem CID59340050
Molecular FormulaC12H10BrNO4
Molecular Weight312.12 g/mol
Exact Mass310.98
IUPAC Namemethyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(O)c2ccc(Br)cc2n(C)c1=O
InChIInChI=1S/C12H10BrNO4/c1-14-8-5-6(13)3-4-7(8)10(15)9(11(14)16)12(17)18-2/h3-5,15H,1-2H3
InChIKeyXWKZJTBXSQLOTP-UHFFFAOYSA-N
XLogP1.79
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate (CID 59340050) is methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate is COC(=O)c1c(O)c2ccc(Br)cc2n(C)c1=O.
What is the InChIKey of methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is XWKZJTBXSQLOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4/c1-14-8-5-6(13)3-4-7(8)10(15)9(11(14)16)12(17)18-2/h3-5,15H,1-2H3.
What are the key properties of methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 312.12 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 59340050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).