2-(4-aminoquinolin-2-yl)-5-bromophenol

C15H11BrN2O — CID 135925152

IUPAC2-(4-aminoquinolin-2-yl)-5-bromophenol
SMILESNc1cc(-c2ccc(Br)cc2O)nc2ccccc12
InChIInChI=1S/C15H11BrN2O/c16-9-5-6-11(15(19)7-9)14-8-12(17)10-3-1-2-4-13(10)18-14/h1-8,19H,(H2,17,18)
InChIKeyMUSLOZHEYPMTIC-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.95
Rot. Bonds1

About 2-(4-aminoquinolin-2-yl)-5-bromophenol

2-(4-aminoquinolin-2-yl)-5-bromophenol (PubChem CID 135925152) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(4-aminoquinolin-2-yl)-5-bromophenol.

Molecular Properties

Compound Name2-(4-aminoquinolin-2-yl)-5-bromophenol
PubChem CID135925152
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-(4-aminoquinolin-2-yl)-5-bromophenol
SMILESNc1cc(-c2ccc(Br)cc2O)nc2ccccc12
InChIInChI=1S/C15H11BrN2O/c16-9-5-6-11(15(19)7-9)14-8-12(17)10-3-1-2-4-13(10)18-14/h1-8,19H,(H2,17,18)
InChIKeyMUSLOZHEYPMTIC-UHFFFAOYSA-N
XLogP3.95
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoquinolin-2-yl)-5-bromophenol?
The IUPAC name of 2-(4-aminoquinolin-2-yl)-5-bromophenol (CID 135925152) is 2-(4-aminoquinolin-2-yl)-5-bromophenol.
What is the SMILES notation for 2-(4-aminoquinolin-2-yl)-5-bromophenol?
The canonical SMILES for 2-(4-aminoquinolin-2-yl)-5-bromophenol is Nc1cc(-c2ccc(Br)cc2O)nc2ccccc12.
What is the InChIKey of 2-(4-aminoquinolin-2-yl)-5-bromophenol?
The InChIKey is MUSLOZHEYPMTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-9-5-6-11(15(19)7-9)14-8-12(17)10-3-1-2-4-13(10)18-14/h1-8,19H,(H2,17,18).
What are the key properties of 2-(4-aminoquinolin-2-yl)-5-bromophenol?
2-(4-aminoquinolin-2-yl)-5-bromophenol has a molecular weight of 315.17 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoquinolin-2-yl)-5-bromophenol is sourced from PubChem (CID 135925152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).