4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine

C22H24N2O3 — CID 12803996

IUPAC4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine
SMILESCOc1cc2cc(N3CCOCC3)nc(Cc3ccccc3)c2cc1OC
InChIInChI=1S/C22H24N2O3/c1-25-20-13-17-14-22(24-8-10-27-11-9-24)23-19(18(17)15-21(20)26-2)12-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3
InChIKeyFECQSMUPVUMURH-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.68
Rot. Bonds5

About 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine

4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine (PubChem CID 12803996) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine
PubChem CID12803996
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine
SMILESCOc1cc2cc(N3CCOCC3)nc(Cc3ccccc3)c2cc1OC
InChIInChI=1S/C22H24N2O3/c1-25-20-13-17-14-22(24-8-10-27-11-9-24)23-19(18(17)15-21(20)26-2)12-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3
InChIKeyFECQSMUPVUMURH-UHFFFAOYSA-N
XLogP3.68
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine?
The IUPAC name of 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine (CID 12803996) is 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine.
What is the SMILES notation for 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine?
The canonical SMILES for 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine is COc1cc2cc(N3CCOCC3)nc(Cc3ccccc3)c2cc1OC.
What is the InChIKey of 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine?
The InChIKey is FECQSMUPVUMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-25-20-13-17-14-22(24-8-10-27-11-9-24)23-19(18(17)15-21(20)26-2)12-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine?
4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine has a molecular weight of 364.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine is sourced from PubChem (CID 12803996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).