4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine

C17H24N2O — CID 3689556

IUPAC4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine
SMILESCc1cc2c(cc1C)C(N1CCOCC1)=NC(C)(C)C2
InChIInChI=1S/C17H24N2O/c1-12-9-14-11-17(3,4)18-16(15(14)10-13(12)2)19-5-7-20-8-6-19/h9-10H,5-8,11H2,1-4H3
InChIKeyWWZHIFPQMCFCIK-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.72
Rot. Bonds

About 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine

4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine (PubChem CID 3689556) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine.

Molecular Properties

Compound Name4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine
PubChem CID3689556
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine
SMILESCc1cc2c(cc1C)C(N1CCOCC1)=NC(C)(C)C2
InChIInChI=1S/C17H24N2O/c1-12-9-14-11-17(3,4)18-16(15(14)10-13(12)2)19-5-7-20-8-6-19/h9-10H,5-8,11H2,1-4H3
InChIKeyWWZHIFPQMCFCIK-UHFFFAOYSA-N
XLogP2.72
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 129284407
4-(3,6-dimethyl-2-pyridinyl)morpholine
CID 135214290
ethane;4-(3-methyl-2-pyridinyl)morpholine
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CID 110282201
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CID 126842355
4-(2,5-dimethyl-4-pyridinyl)morpholine;ethane
CID 177212902
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
4-[(2S)-2,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl]morpholine
CID 142501201
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CID 3531216
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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine?
The IUPAC name of 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine (CID 3689556) is 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine.
What is the SMILES notation for 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine?
The canonical SMILES for 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine is Cc1cc2c(cc1C)C(N1CCOCC1)=NC(C)(C)C2.
What is the InChIKey of 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine?
The InChIKey is WWZHIFPQMCFCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-9-14-11-17(3,4)18-16(15(14)10-13(12)2)19-5-7-20-8-6-19/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine?
4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine has a molecular weight of 272.39 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine is sourced from PubChem (CID 3689556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).