methyl 2-(6-bromoquinolin-3-yl)oxybutanoate

C14H14BrNO3 — CID 67322323

IUPACmethyl 2-(6-bromoquinolin-3-yl)oxybutanoate
SMILESCCC(Oc1cnc2ccc(Br)cc2c1)C(=O)OC
InChIInChI=1S/C14H14BrNO3/c1-3-13(14(17)18-2)19-11-7-9-6-10(15)4-5-12(9)16-8-11/h4-8,13H,3H2,1-2H3
InChIKeyYWIXATQLDJQWMP-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.33
Rot. Bonds4

About methyl 2-(6-bromoquinolin-3-yl)oxybutanoate

methyl 2-(6-bromoquinolin-3-yl)oxybutanoate (PubChem CID 67322323) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is methyl 2-(6-bromoquinolin-3-yl)oxybutanoate.

Molecular Properties

Compound Namemethyl 2-(6-bromoquinolin-3-yl)oxybutanoate
PubChem CID67322323
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Namemethyl 2-(6-bromoquinolin-3-yl)oxybutanoate
SMILESCCC(Oc1cnc2ccc(Br)cc2c1)C(=O)OC
InChIInChI=1S/C14H14BrNO3/c1-3-13(14(17)18-2)19-11-7-9-6-10(15)4-5-12(9)16-8-11/h4-8,13H,3H2,1-2H3
InChIKeyYWIXATQLDJQWMP-UHFFFAOYSA-N
XLogP3.33
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromoquinolin-3-yl)oxybutanoate?
The IUPAC name of methyl 2-(6-bromoquinolin-3-yl)oxybutanoate (CID 67322323) is methyl 2-(6-bromoquinolin-3-yl)oxybutanoate.
What is the SMILES notation for methyl 2-(6-bromoquinolin-3-yl)oxybutanoate?
The canonical SMILES for methyl 2-(6-bromoquinolin-3-yl)oxybutanoate is CCC(Oc1cnc2ccc(Br)cc2c1)C(=O)OC.
What is the InChIKey of methyl 2-(6-bromoquinolin-3-yl)oxybutanoate?
The InChIKey is YWIXATQLDJQWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-3-13(14(17)18-2)19-11-7-9-6-10(15)4-5-12(9)16-8-11/h4-8,13H,3H2,1-2H3.
What are the key properties of methyl 2-(6-bromoquinolin-3-yl)oxybutanoate?
methyl 2-(6-bromoquinolin-3-yl)oxybutanoate has a molecular weight of 324.17 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromoquinolin-3-yl)oxybutanoate is sourced from PubChem (CID 67322323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).