[4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol

C15H17BrN2O2 — CID 84597734

IUPAC[4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccc(Br)c3cccnc23)CCO1
InChIInChI=1S/C15H17BrN2O2/c16-14-4-3-11(15-13(14)2-1-5-17-15)8-18-6-7-20-12(9-18)10-19/h1-5,12,19H,6-10H2
InChIKeyWPZYKUMISAENIF-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.19
Rot. Bonds3

About [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol

[4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol (PubChem CID 84597734) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol
PubChem CID84597734
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name[4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccc(Br)c3cccnc23)CCO1
InChIInChI=1S/C15H17BrN2O2/c16-14-4-3-11(15-13(14)2-1-5-17-15)8-18-6-7-20-12(9-18)10-19/h1-5,12,19H,6-10H2
InChIKeyWPZYKUMISAENIF-UHFFFAOYSA-N
XLogP2.19
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol (CID 84597734) is [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol is OCC1CN(Cc2ccc(Br)c3cccnc23)CCO1.
What is the InChIKey of [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is WPZYKUMISAENIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-14-4-3-11(15-13(14)2-1-5-17-15)8-18-6-7-20-12(9-18)10-19/h1-5,12,19H,6-10H2.
What are the key properties of [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol?
[4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 337.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromoquinolin-8-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 84597734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).