methyl 8-bromo-4-chloroquinoline-2-carboxylate

C11H7BrClNO2 — CID 46739191

IUPACmethyl 8-bromo-4-chloroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C11H7BrClNO2/c1-16-11(15)9-5-8(13)6-3-2-4-7(12)10(6)14-9/h2-5H,1H3
InChIKeyMRNWDAGFVWSOAL-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.44
Rot. Bonds1

About methyl 8-bromo-4-chloroquinoline-2-carboxylate

methyl 8-bromo-4-chloroquinoline-2-carboxylate (PubChem CID 46739191) has the molecular formula C11H7BrClNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is methyl 8-bromo-4-chloroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-4-chloroquinoline-2-carboxylate
PubChem CID46739191
Molecular FormulaC11H7BrClNO2
Molecular Weight300.54 g/mol
Exact Mass298.93
IUPAC Namemethyl 8-bromo-4-chloroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C11H7BrClNO2/c1-16-11(15)9-5-8(13)6-3-2-4-7(12)10(6)14-9/h2-5H,1H3
InChIKeyMRNWDAGFVWSOAL-UHFFFAOYSA-N
XLogP3.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-4-chloroquinoline-2-carboxylate?
The IUPAC name of methyl 8-bromo-4-chloroquinoline-2-carboxylate (CID 46739191) is methyl 8-bromo-4-chloroquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-bromo-4-chloroquinoline-2-carboxylate?
The canonical SMILES for methyl 8-bromo-4-chloroquinoline-2-carboxylate is COC(=O)c1cc(Cl)c2cccc(Br)c2n1.
What is the InChIKey of methyl 8-bromo-4-chloroquinoline-2-carboxylate?
The InChIKey is MRNWDAGFVWSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/c1-16-11(15)9-5-8(13)6-3-2-4-7(12)10(6)14-9/h2-5H,1H3.
What are the key properties of methyl 8-bromo-4-chloroquinoline-2-carboxylate?
methyl 8-bromo-4-chloroquinoline-2-carboxylate has a molecular weight of 300.54 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-4-chloroquinoline-2-carboxylate is sourced from PubChem (CID 46739191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).