2-(3-amino-6-bromoquinolin-4-yl)phenol

C15H11BrN2O — CID 174771858

IUPAC2-(3-amino-6-bromoquinolin-4-yl)phenol
SMILESNc1cnc2ccc(Br)cc2c1-c1ccccc1O
InChIInChI=1S/C15H11BrN2O/c16-9-5-6-13-11(7-9)15(12(17)8-18-13)10-3-1-2-4-14(10)19/h1-8,19H,17H2
InChIKeyYVEQJGOCCLROQO-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.95
Rot. Bonds1

About 2-(3-amino-6-bromoquinolin-4-yl)phenol

2-(3-amino-6-bromoquinolin-4-yl)phenol (PubChem CID 174771858) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(3-amino-6-bromoquinolin-4-yl)phenol.

Molecular Properties

Compound Name2-(3-amino-6-bromoquinolin-4-yl)phenol
PubChem CID174771858
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-(3-amino-6-bromoquinolin-4-yl)phenol
SMILESNc1cnc2ccc(Br)cc2c1-c1ccccc1O
InChIInChI=1S/C15H11BrN2O/c16-9-5-6-13-11(7-9)15(12(17)8-18-13)10-3-1-2-4-14(10)19/h1-8,19H,17H2
InChIKeyYVEQJGOCCLROQO-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-(3-amino-6-bromoquinolin-4-yl)phenol?
The IUPAC name of 2-(3-amino-6-bromoquinolin-4-yl)phenol (CID 174771858) is 2-(3-amino-6-bromoquinolin-4-yl)phenol.
What is the SMILES notation for 2-(3-amino-6-bromoquinolin-4-yl)phenol?
The canonical SMILES for 2-(3-amino-6-bromoquinolin-4-yl)phenol is Nc1cnc2ccc(Br)cc2c1-c1ccccc1O.
What is the InChIKey of 2-(3-amino-6-bromoquinolin-4-yl)phenol?
The InChIKey is YVEQJGOCCLROQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-9-5-6-13-11(7-9)15(12(17)8-18-13)10-3-1-2-4-14(10)19/h1-8,19H,17H2.
What are the key properties of 2-(3-amino-6-bromoquinolin-4-yl)phenol?
2-(3-amino-6-bromoquinolin-4-yl)phenol 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-(3-amino-6-bromoquinolin-4-yl)phenol is sourced from PubChem (CID 174771858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).