4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine

C18H28N2O3 — CID 112721637

IUPAC4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
SMILESCCN1CCc2c(c(OC)cc(CN3CCOCC3)c2OC)C1
InChIInChI=1S/C18H28N2O3/c1-4-19-6-5-15-16(13-19)17(21-2)11-14(18(15)22-3)12-20-7-9-23-10-8-20/h11H,4-10,12-13H2,1-3H3
InChIKeyDOPCQGOIQJNREV-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.91
Rot. Bonds5

About 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine

4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine (PubChem CID 112721637) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
PubChem CID112721637
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
SMILESCCN1CCc2c(c(OC)cc(CN3CCOCC3)c2OC)C1
InChIInChI=1S/C18H28N2O3/c1-4-19-6-5-15-16(13-19)17(21-2)11-14(18(15)22-3)12-20-7-9-23-10-8-20/h11H,4-10,12-13H2,1-3H3
InChIKeyDOPCQGOIQJNREV-UHFFFAOYSA-N
XLogP1.91
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956744
N-ethyl-N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 112721634
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline
CID 110457114
2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721737
2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 112721746
[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol
CID 22180813
N-[4,5-dimethoxy-2-(morpholin-4-ylmethyl)phenyl]acetamide;hydrochloride
CID 117068551
2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
CID 58662167
1,2-diethyl-5,8-dimethoxy-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 112721755
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine?
The IUPAC name of 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine (CID 112721637) is 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine is CCN1CCc2c(c(OC)cc(CN3CCOCC3)c2OC)C1.
What is the InChIKey of 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine?
The InChIKey is DOPCQGOIQJNREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-19-6-5-15-16(13-19)17(21-2)11-14(18(15)22-3)12-20-7-9-23-10-8-20/h11H,4-10,12-13H2,1-3H3.
What are the key properties of 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine?
4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine has a molecular weight of 320.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine is sourced from PubChem (CID 112721637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).