N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide

C15H16BrN3O2 — CID 138559222

IUPACN-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc2cc(Br)ccc2cn1
InChIInChI=1S/C15H16BrN3O2/c16-13-2-1-11-9-17-14(8-12(11)7-13)18-15(20)10-19-3-5-21-6-4-19/h1-2,7-9H,3-6,10H2,(H,17,18,20)
InChIKeyXARMUAYERCDLEO-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.27
Rot. Bonds3

About N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide

N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide (PubChem CID 138559222) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide
PubChem CID138559222
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc2cc(Br)ccc2cn1
InChIInChI=1S/C15H16BrN3O2/c16-13-2-1-11-9-17-14(8-12(11)7-13)18-15(20)10-19-3-5-21-6-4-19/h1-2,7-9H,3-6,10H2,(H,17,18,20)
InChIKeyXARMUAYERCDLEO-UHFFFAOYSA-N
XLogP2.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide (CID 138559222) is N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cc2cc(Br)ccc2cn1.
What is the InChIKey of N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide?
The InChIKey is XARMUAYERCDLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-13-2-1-11-9-17-14(8-12(11)7-13)18-15(20)10-19-3-5-21-6-4-19/h1-2,7-9H,3-6,10H2,(H,17,18,20).
What are the key properties of N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide?
N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide has a molecular weight of 350.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoisoquinolin-3-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 138559222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).