4-(1-bromoisoquinolin-3-yl)morpholine

C13H13BrN2O — CID 59264518

IUPAC4-(1-bromoisoquinolin-3-yl)morpholine
SMILESBrc1nc(N2CCOCC2)cc2ccccc12
InChIInChI=1S/C13H13BrN2O/c14-13-11-4-2-1-3-10(11)9-12(15-13)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyLHDYFLVJCRWJKY-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.83
Rot. Bonds1

About 4-(1-bromoisoquinolin-3-yl)morpholine

4-(1-bromoisoquinolin-3-yl)morpholine (PubChem CID 59264518) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-(1-bromoisoquinolin-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-bromoisoquinolin-3-yl)morpholine
PubChem CID59264518
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name4-(1-bromoisoquinolin-3-yl)morpholine
SMILESBrc1nc(N2CCOCC2)cc2ccccc12
InChIInChI=1S/C13H13BrN2O/c14-13-11-4-2-1-3-10(11)9-12(15-13)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyLHDYFLVJCRWJKY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-piperidin-1-ylisoquinoline;3-morpholin-4-ylisoquinoline-1-carboxylic acid
CID 161143162
4-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 131724211
4-(4,8-dimethylquinolin-2-yl)morpholine
CID 798855
[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
CID 62973118
N-methyl-1-(2-morpholin-4-ylquinolin-4-yl)methanamine
CID 62285578
4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine
CID 154585877
2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine
CID 71454917
N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62285237
4-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]morpholine
CID 147347753
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-(6-methyl-4-phenylquinolin-2-yl)morpholine
CID 39860405

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoisoquinolin-3-yl)morpholine?
The IUPAC name of 4-(1-bromoisoquinolin-3-yl)morpholine (CID 59264518) is 4-(1-bromoisoquinolin-3-yl)morpholine.
What is the SMILES notation for 4-(1-bromoisoquinolin-3-yl)morpholine?
The canonical SMILES for 4-(1-bromoisoquinolin-3-yl)morpholine is Brc1nc(N2CCOCC2)cc2ccccc12.
What is the InChIKey of 4-(1-bromoisoquinolin-3-yl)morpholine?
The InChIKey is LHDYFLVJCRWJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-13-11-4-2-1-3-10(11)9-12(15-13)16-5-7-17-8-6-16/h1-4,9H,5-8H2.
What are the key properties of 4-(1-bromoisoquinolin-3-yl)morpholine?
4-(1-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-(1-bromoisoquinolin-3-yl)morpholine is sourced from PubChem (CID 59264518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).