4-(6,7-diethoxyisoquinolin-3-yl)morpholine

C17H22N2O3 — CID 944829

IUPAC4-(6,7-diethoxyisoquinolin-3-yl)morpholine
SMILESCCOc1cc2cnc(N3CCOCC3)cc2cc1OCC
InChIInChI=1S/C17H22N2O3/c1-3-21-15-9-13-11-17(19-5-7-20-8-6-19)18-12-14(13)10-16(15)22-4-2/h9-12H,3-8H2,1-2H3
InChIKeyNOXWCHLYQYXWCL-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.87
Rot. Bonds5

About 4-(6,7-diethoxyisoquinolin-3-yl)morpholine

4-(6,7-diethoxyisoquinolin-3-yl)morpholine (PubChem CID 944829) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(6,7-diethoxyisoquinolin-3-yl)morpholine.

Molecular Properties

Compound Name4-(6,7-diethoxyisoquinolin-3-yl)morpholine
PubChem CID944829
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-(6,7-diethoxyisoquinolin-3-yl)morpholine
SMILESCCOc1cc2cnc(N3CCOCC3)cc2cc1OCC
InChIInChI=1S/C17H22N2O3/c1-3-21-15-9-13-11-17(19-5-7-20-8-6-19)18-12-14(13)10-16(15)22-4-2/h9-12H,3-8H2,1-2H3
InChIKeyNOXWCHLYQYXWCL-UHFFFAOYSA-N
XLogP2.87
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-diethoxy-3-pyrrolidin-1-ylisoquinoline
CID 942846
6,7-diethoxy-3-(4-methylpiperazin-1-yl)isoquinoline
CID 945660
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 124501981
1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 102545557
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
4-(1-methylpyrido[3,4-d]pyridazin-7-yl)morpholine
CID 175916253
4-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
CID 19041101
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 124501974
N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 154843375
(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol
CID 19437119
9-ethoxy-8-methoxy-6-(6-morpholin-4-yl-3-pyridinyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 11669287

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-diethoxyisoquinolin-3-yl)morpholine?
The IUPAC name of 4-(6,7-diethoxyisoquinolin-3-yl)morpholine (CID 944829) is 4-(6,7-diethoxyisoquinolin-3-yl)morpholine.
What is the SMILES notation for 4-(6,7-diethoxyisoquinolin-3-yl)morpholine?
The canonical SMILES for 4-(6,7-diethoxyisoquinolin-3-yl)morpholine is CCOc1cc2cnc(N3CCOCC3)cc2cc1OCC.
What is the InChIKey of 4-(6,7-diethoxyisoquinolin-3-yl)morpholine?
The InChIKey is NOXWCHLYQYXWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-21-15-9-13-11-17(19-5-7-20-8-6-19)18-12-14(13)10-16(15)22-4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-(6,7-diethoxyisoquinolin-3-yl)morpholine?
4-(6,7-diethoxyisoquinolin-3-yl)morpholine has a molecular weight of 302.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-diethoxyisoquinolin-3-yl)morpholine is sourced from PubChem (CID 944829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).