6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C15H13Br2NO7 — CID 171115063

IUPAC6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1OC(Oc2c(Br)cc(Br)c3cccnc23)C(O)C(O)C1O
InChIInChI=1S/C15H13Br2NO7/c16-6-4-7(17)12(8-5(6)2-1-3-18-8)24-15-11(21)9(19)10(20)13(25-15)14(22)23/h1-4,9-11,13,15,19-21H,(H,22,23)
InChIKeyUGGDOZVDHYFYJT-UHFFFAOYSA-N
MW479.08 g/mol
LogP1.03
Rot. Bonds3

About 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 171115063) has the molecular formula C15H13Br2NO7 and a molecular weight of 479.08 g/mol. Its IUPAC name is 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID171115063
Molecular FormulaC15H13Br2NO7
Molecular Weight479.08 g/mol
Exact Mass476.91
IUPAC Name6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1OC(Oc2c(Br)cc(Br)c3cccnc23)C(O)C(O)C1O
InChIInChI=1S/C15H13Br2NO7/c16-6-4-7(17)12(8-5(6)2-1-3-18-8)24-15-11(21)9(19)10(20)13(25-15)14(22)23/h1-4,9-11,13,15,19-21H,(H,22,23)
InChIKeyUGGDOZVDHYFYJT-UHFFFAOYSA-N
XLogP1.03
TPSA129.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.08
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 171115063) is 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is O=C(O)C1OC(Oc2c(Br)cc(Br)c3cccnc23)C(O)C(O)C1O.
What is the InChIKey of 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is UGGDOZVDHYFYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO7/c16-6-4-7(17)12(8-5(6)2-1-3-18-8)24-15-11(21)9(19)10(20)13(25-15)14(22)23/h1-4,9-11,13,15,19-21H,(H,22,23).
What are the key properties of 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 479.08 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 171115063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).