4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine

C17H24N2O — CID 676171

IUPAC4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine
SMILESCCC1(CC)Cc2ccccc2C(N2CCOCC2)=N1
InChIInChI=1S/C17H24N2O/c1-3-17(4-2)13-14-7-5-6-8-15(14)16(18-17)19-9-11-20-12-10-19/h5-8H,3-4,9-13H2,1-2H3
InChIKeyPOHQUARTWZTGFE-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.88
Rot. Bonds2

About 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine

4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine (PubChem CID 676171) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine.

Molecular Properties

Compound Name4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine
PubChem CID676171
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine
SMILESCCC1(CC)Cc2ccccc2C(N2CCOCC2)=N1
InChIInChI=1S/C17H24N2O/c1-3-17(4-2)13-14-7-5-6-8-15(14)16(18-17)19-9-11-20-12-10-19/h5-8H,3-4,9-13H2,1-2H3
InChIKeyPOHQUARTWZTGFE-UHFFFAOYSA-N
XLogP2.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine?
The IUPAC name of 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine (CID 676171) is 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine.
What is the SMILES notation for 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine?
The canonical SMILES for 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine is CCC1(CC)Cc2ccccc2C(N2CCOCC2)=N1.
What is the InChIKey of 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine?
The InChIKey is POHQUARTWZTGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-17(4-2)13-14-7-5-6-8-15(14)16(18-17)19-9-11-20-12-10-19/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine?
4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine has a molecular weight of 272.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine is sourced from PubChem (CID 676171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).