4-(8-bromoisoquinolin-3-yl)morpholine

C13H13BrN2O — CID 139530418

IUPAC4-(8-bromoisoquinolin-3-yl)morpholine
SMILESBrc1cccc2cc(N3CCOCC3)ncc12
InChIInChI=1S/C13H13BrN2O/c14-12-3-1-2-10-8-13(15-9-11(10)12)16-4-6-17-7-5-16/h1-3,8-9H,4-7H2
InChIKeyDVKUUPLFYOQLJO-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.83
Rot. Bonds1

About 4-(8-bromoisoquinolin-3-yl)morpholine

4-(8-bromoisoquinolin-3-yl)morpholine (PubChem CID 139530418) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-(8-bromoisoquinolin-3-yl)morpholine.

Molecular Properties

Compound Name4-(8-bromoisoquinolin-3-yl)morpholine
PubChem CID139530418
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name4-(8-bromoisoquinolin-3-yl)morpholine
SMILESBrc1cccc2cc(N3CCOCC3)ncc12
InChIInChI=1S/C13H13BrN2O/c14-12-3-1-2-10-8-13(15-9-11(10)12)16-4-6-17-7-5-16/h1-3,8-9H,4-7H2
InChIKeyDVKUUPLFYOQLJO-UHFFFAOYSA-N
XLogP2.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-bromoisoquinolin-3-yl)morpholine?
The IUPAC name of 4-(8-bromoisoquinolin-3-yl)morpholine (CID 139530418) is 4-(8-bromoisoquinolin-3-yl)morpholine.
What is the SMILES notation for 4-(8-bromoisoquinolin-3-yl)morpholine?
The canonical SMILES for 4-(8-bromoisoquinolin-3-yl)morpholine is Brc1cccc2cc(N3CCOCC3)ncc12.
What is the InChIKey of 4-(8-bromoisoquinolin-3-yl)morpholine?
The InChIKey is DVKUUPLFYOQLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-3-1-2-10-8-13(15-9-11(10)12)16-4-6-17-7-5-16/h1-3,8-9H,4-7H2.
What are the key properties of 4-(8-bromoisoquinolin-3-yl)morpholine?
4-(8-bromoisoquinolin-3-yl)morpholine has a molecular weight of 293.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-bromoisoquinolin-3-yl)morpholine is sourced from PubChem (CID 139530418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).