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

C15H20N2O — CID 685020

IUPAC4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine
SMILESCC1(CC2=CC=CC=C2C(=N1)N3CCOCC3)C
InChIInChI=1S/C15H20N2O/c1-15(2)11-12-5-3-4-6-13(12)14(16-15)17-7-9-18-10-8-17/h3-6H,7-11H2,1-2H3
InChIKeyDBJSVWGTIHHPPU-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.50
Rot. Bonds1

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

4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine (PubChem CID 685020) has the molecular formula C15H20N2O and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine.

Molecular Properties

Compound Name4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine
PubChem CID685020
Molecular FormulaC15H20N2O
Molecular Weight244.33 g/mol
Exact Mass244.16
IUPAC Name4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine
SMILESCC1(CC2=CC=CC=C2C(=N1)N3CCOCC3)C
InChIInChI=1S/C15H20N2O/c1-15(2)11-12-5-3-4-6-13(12)14(16-15)17-7-9-18-10-8-17/h3-6H,7-11H2,1-2H3
InChIKeyDBJSVWGTIHHPPU-UHFFFAOYSA-N
XLogP1.50
TPSA24.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity331

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
3,3-Diethyl-1-(morpholin-4-yl)-3,4-dihydroisoquinoline
CID 676171
(NZ)-N-[morpholin-4-yl-[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 168349948
1-(2-methoxyethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 1582523

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine?
The IUPAC name of 4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine (CID 685020) is 4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine.
What is the SMILES notation for 4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine?
The canonical SMILES for 4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine is CC1(CC2=CC=CC=C2C(=N1)N3CCOCC3)C.
What is the InChIKey of 4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine?
The InChIKey is DBJSVWGTIHHPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2)11-12-5-3-4-6-13(12)14(16-15)17-7-9-18-10-8-17/h3-6H,7-11H2,1-2H3.
What are the key properties of 4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine?
4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine has a molecular weight of 244.33 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine is sourced from PubChem (CID 685020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).