2-[(3,6-dibromoquinolin-4-yl)amino]ethanol

C11H10Br2N2O — CID 143875719

IUPAC2-[(3,6-dibromoquinolin-4-yl)amino]ethanol
SMILESOCCNc1c(Br)cnc2ccc(Br)cc12
InChIInChI=1S/C11H10Br2N2O/c12-7-1-2-10-8(5-7)11(14-3-4-16)9(13)6-15-10/h1-2,5-6,16H,3-4H2,(H,14,15)
InChIKeyPSBLPNSBDYEAPJ-UHFFFAOYSA-N
MW346.02 g/mol
LogP3.16
Rot. Bonds3

About 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol

2-[(3,6-dibromoquinolin-4-yl)amino]ethanol (PubChem CID 143875719) has the molecular formula C11H10Br2N2O and a molecular weight of 346.02 g/mol. Its IUPAC name is 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,6-dibromoquinolin-4-yl)amino]ethanol
PubChem CID143875719
Molecular FormulaC11H10Br2N2O
Molecular Weight346.02 g/mol
Exact Mass343.92
IUPAC Name2-[(3,6-dibromoquinolin-4-yl)amino]ethanol
SMILESOCCNc1c(Br)cnc2ccc(Br)cc12
InChIInChI=1S/C11H10Br2N2O/c12-7-1-2-10-8(5-7)11(14-3-4-16)9(13)6-15-10/h1-2,5-6,16H,3-4H2,(H,14,15)
InChIKeyPSBLPNSBDYEAPJ-UHFFFAOYSA-N
XLogP3.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol?
The IUPAC name of 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol (CID 143875719) is 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol is OCCNc1c(Br)cnc2ccc(Br)cc12.
What is the InChIKey of 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol?
The InChIKey is PSBLPNSBDYEAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O/c12-7-1-2-10-8(5-7)11(14-3-4-16)9(13)6-15-10/h1-2,5-6,16H,3-4H2,(H,14,15).
What are the key properties of 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol?
2-[(3,6-dibromoquinolin-4-yl)amino]ethanol has a molecular weight of 346.02 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dibromoquinolin-4-yl)amino]ethanol is sourced from PubChem (CID 143875719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).