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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Related Compounds

1-(2-morpholinoethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 663369
4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine
CID 818746
5-(4-Morpholin-4-ylmethyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10066158
1-[3-(morpholin-4-yl)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 663906
1-Piperidin-1-yl-3,4-dihydroisoquinoline;hydrochloride
CID 12349062
Morpholine, 4-(3,4-dihydro-2-methyl-3-phenyl-2H-pyrrol-5-yl)-
CID 3039628
Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(2-(4-morpholinyl)ethyl)-, dihydrochloride
CID 3079741
4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine
CID 14978293
4-(2-Methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepin-3-yl)morpholine;hydrochloride
CID 49860684
4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine
CID 685020
1-(2-methoxyethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 1582523
N-(3,4-Dihydro-2(1H)-isoquinolinylmethylene)-1-methoxy-2-methyl-2-propanamine
CID 370767

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).