1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol

C12H12BrNO3 — CID 67134747

IUPAC1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol
SMILESCOc1ccc2ccc(Br)c(C(O)CO)c2n1
InChIInChI=1S/C12H12BrNO3/c1-17-10-5-3-7-2-4-8(13)11(9(16)6-15)12(7)14-10/h2-5,9,15-16H,6H2,1H3
InChIKeyUWEHQCIYMHJXKY-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.03
Rot. Bonds3

About 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol

1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol (PubChem CID 67134747) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol
PubChem CID67134747
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol
SMILESCOc1ccc2ccc(Br)c(C(O)CO)c2n1
InChIInChI=1S/C12H12BrNO3/c1-17-10-5-3-7-2-4-8(13)11(9(16)6-15)12(7)14-10/h2-5,9,15-16H,6H2,1H3
InChIKeyUWEHQCIYMHJXKY-UHFFFAOYSA-N
XLogP2.03
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol?
The IUPAC name of 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol (CID 67134747) is 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol?
The canonical SMILES for 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol is COc1ccc2ccc(Br)c(C(O)CO)c2n1.
What is the InChIKey of 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol?
The InChIKey is UWEHQCIYMHJXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c1-17-10-5-3-7-2-4-8(13)11(9(16)6-15)12(7)14-10/h2-5,9,15-16H,6H2,1H3.
What are the key properties of 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol?
1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol has a molecular weight of 298.14 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol is sourced from PubChem (CID 67134747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).