methyl 4-bromoquinoline-3-carboxylate

C11H8BrNO2 — CID 112703939

IUPACmethyl 4-bromoquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccccc2c1Br
InChIInChI=1S/C11H8BrNO2/c1-15-11(14)8-6-13-9-5-3-2-4-7(9)10(8)12/h2-6H,1H3
InChIKeyIUXMLCXLPQONMY-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.78
Rot. Bonds1

About methyl 4-bromoquinoline-3-carboxylate

methyl 4-bromoquinoline-3-carboxylate (PubChem CID 112703939) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is methyl 4-bromoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromoquinoline-3-carboxylate
PubChem CID112703939
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Namemethyl 4-bromoquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccccc2c1Br
InChIInChI=1S/C11H8BrNO2/c1-15-11(14)8-6-13-9-5-3-2-4-7(9)10(8)12/h2-6H,1H3
InChIKeyIUXMLCXLPQONMY-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-bromoquinoline-3-carboxylate?
The IUPAC name of methyl 4-bromoquinoline-3-carboxylate (CID 112703939) is methyl 4-bromoquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-bromoquinoline-3-carboxylate?
The canonical SMILES for methyl 4-bromoquinoline-3-carboxylate is COC(=O)c1cnc2ccccc2c1Br.
What is the InChIKey of methyl 4-bromoquinoline-3-carboxylate?
The InChIKey is IUXMLCXLPQONMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-15-11(14)8-6-13-9-5-3-2-4-7(9)10(8)12/h2-6H,1H3.
What are the key properties of methyl 4-bromoquinoline-3-carboxylate?
methyl 4-bromoquinoline-3-carboxylate has a molecular weight of 266.09 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromoquinoline-3-carboxylate is sourced from PubChem (CID 112703939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).