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

C12H10BrNO3 — CID 68713102

IUPACmethyl 2-(3-bromoquinolin-6-yl)oxyacetate
SMILESCOC(=O)COc1ccc2ncc(Br)cc2c1
InChIInChI=1S/C12H10BrNO3/c1-16-12(15)7-17-10-2-3-11-8(5-10)4-9(13)6-14-11/h2-6H,7H2,1H3
InChIKeyNHLQSPLXLJWBMN-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.55
Rot. Bonds3

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

methyl 2-(3-bromoquinolin-6-yl)oxyacetate (PubChem CID 68713102) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is methyl 2-(3-bromoquinolin-6-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-bromoquinolin-6-yl)oxyacetate
PubChem CID68713102
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Namemethyl 2-(3-bromoquinolin-6-yl)oxyacetate
SMILESCOC(=O)COc1ccc2ncc(Br)cc2c1
InChIInChI=1S/C12H10BrNO3/c1-16-12(15)7-17-10-2-3-11-8(5-10)4-9(13)6-14-11/h2-6H,7H2,1H3
InChIKeyNHLQSPLXLJWBMN-UHFFFAOYSA-N
XLogP2.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromoquinolin-6-yl)oxyacetate?
The IUPAC name of methyl 2-(3-bromoquinolin-6-yl)oxyacetate (CID 68713102) is methyl 2-(3-bromoquinolin-6-yl)oxyacetate.
What is the SMILES notation for methyl 2-(3-bromoquinolin-6-yl)oxyacetate?
The canonical SMILES for methyl 2-(3-bromoquinolin-6-yl)oxyacetate is COC(=O)COc1ccc2ncc(Br)cc2c1.
What is the InChIKey of methyl 2-(3-bromoquinolin-6-yl)oxyacetate?
The InChIKey is NHLQSPLXLJWBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-16-12(15)7-17-10-2-3-11-8(5-10)4-9(13)6-14-11/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(3-bromoquinolin-6-yl)oxyacetate?
methyl 2-(3-bromoquinolin-6-yl)oxyacetate has a molecular weight of 296.12 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromoquinolin-6-yl)oxyacetate is sourced from PubChem (CID 68713102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).