4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine

C23H21N3O2 — CID 56713235

IUPAC4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine
SMILESc1ccc2c(Oc3ccc(CN4CCOCC4)c4cccnc34)nccc2c1
InChIInChI=1S/C23H21N3O2/c1-2-5-20-17(4-1)9-11-25-23(20)28-21-8-7-18(16-26-12-14-27-15-13-26)19-6-3-10-24-22(19)21/h1-11H,12-16H2
InChIKeyCKWFCUQLTJNAMG-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.41
Rot. Bonds4

About 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine

4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine (PubChem CID 56713235) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine
PubChem CID56713235
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine
SMILESc1ccc2c(Oc3ccc(CN4CCOCC4)c4cccnc34)nccc2c1
InChIInChI=1S/C23H21N3O2/c1-2-5-20-17(4-1)9-11-25-23(20)28-21-8-7-18(16-26-12-14-27-15-13-26)19-6-3-10-24-22(19)21/h1-11H,12-16H2
InChIKeyCKWFCUQLTJNAMG-UHFFFAOYSA-N
XLogP4.41
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine?
The IUPAC name of 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine (CID 56713235) is 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine is c1ccc2c(Oc3ccc(CN4CCOCC4)c4cccnc34)nccc2c1.
What is the InChIKey of 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine?
The InChIKey is CKWFCUQLTJNAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-5-20-17(4-1)9-11-25-23(20)28-21-8-7-18(16-26-12-14-27-15-13-26)19-6-3-10-24-22(19)21/h1-11H,12-16H2.
What are the key properties of 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine?
4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine has a molecular weight of 371.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-isoquinolin-1-yloxyquinolin-5-yl)methyl]morpholine is sourced from PubChem (CID 56713235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).