1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol

C16H20N2O3 — CID 106541497

IUPAC1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(c2nccc3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C16H20N2O3/c1-4-16(19)9-18(10-16)15-12-8-14(21-3)13(20-2)7-11(12)5-6-17-15/h5-8,19H,4,9-10H2,1-3H3
InChIKeyFZGWPVCXHVSUIN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds4

About 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol

1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol (PubChem CID 106541497) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol
PubChem CID106541497
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(c2nccc3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C16H20N2O3/c1-4-16(19)9-18(10-16)15-12-8-14(21-3)13(20-2)7-11(12)5-6-17-15/h5-8,19H,4,9-10H2,1-3H3
InChIKeyFZGWPVCXHVSUIN-UHFFFAOYSA-N
XLogP2.21
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one
CID 134115155
1-[3-(chloromethyl)pyrrolidin-1-yl]-6,7-dimethoxyisoquinoline
CID 106542621
6,7-dimethoxy-1-(3-methylpiperazin-1-yl)isoquinoline
CID 106536890
(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
CID 106541180
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
CID 11645449
(2-hydroxy-2-methylpropyl) 4-(6,7-dimethoxyisoquinolin-1-yl)piperazine-1-carboxylate
CID 134115120
1-(7-fluoro-6-methoxyisoquinolin-1-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052635
[1-(6,7-dimethoxyisoquinolin-1-yl)-1,2,4-triazol-3-yl]methanamine
CID 106542424
1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol
CID 113293020
7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide
CID 138680054
6,7-dimethoxy-1-methylisoquinoline
CID 20725
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol?
The IUPAC name of 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol (CID 106541497) is 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol?
The canonical SMILES for 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol is CCC1(O)CN(c2nccc3cc(OC)c(OC)cc23)C1.
What is the InChIKey of 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol?
The InChIKey is FZGWPVCXHVSUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-16(19)9-18(10-16)15-12-8-14(21-3)13(20-2)7-11(12)5-6-17-15/h5-8,19H,4,9-10H2,1-3H3.
What are the key properties of 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol?
1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol has a molecular weight of 288.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol is sourced from PubChem (CID 106541497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).