(4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol

C16H20N2O2 — CID 79666005

IUPAC(4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol
SMILESCCN1CCOC(C(O)c2cncc3ccccc23)C1
InChIInChI=1S/C16H20N2O2/c1-2-18-7-8-20-15(11-18)16(19)14-10-17-9-12-5-3-4-6-13(12)14/h3-6,9-10,15-16,19H,2,7-8,11H2,1H3
InChIKeyJRSQORAIZACADQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.99
Rot. Bonds3

About (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol

(4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol (PubChem CID 79666005) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol
PubChem CID79666005
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol
SMILESCCN1CCOC(C(O)c2cncc3ccccc23)C1
InChIInChI=1S/C16H20N2O2/c1-2-18-7-8-20-15(11-18)16(19)14-10-17-9-12-5-3-4-6-13(12)14/h3-6,9-10,15-16,19H,2,7-8,11H2,1H3
InChIKeyJRSQORAIZACADQ-UHFFFAOYSA-N
XLogP1.99
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine
CID 79663744
(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine
CID 79666525
(4-ethylmorpholin-2-yl)-quinolin-6-ylmethanol
CID 81220754
(4-ethylmorpholin-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 79666863
(1,4-dimethylpiperazin-2-yl)-isoquinolin-4-ylmethanol
CID 79659479
isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol
CID 103143463
(4-ethylmorpholin-2-yl)-thiophen-3-ylmethanol
CID 79667022
(4-ethylmorpholin-2-yl)-(1-propylpyrazol-4-yl)methanol
CID 79666511
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046
(4-ethylmorpholin-2-yl)-(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 112743953
(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
CID 104504589
(2,3-dimethylphenyl)-(4-propylmorpholin-2-yl)methanol
CID 79669238

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol?
The IUPAC name of (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol (CID 79666005) is (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol.
What is the SMILES notation for (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol?
The canonical SMILES for (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol is CCN1CCOC(C(O)c2cncc3ccccc23)C1.
What is the InChIKey of (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol?
The InChIKey is JRSQORAIZACADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18-7-8-20-15(11-18)16(19)14-10-17-9-12-5-3-4-6-13(12)14/h3-6,9-10,15-16,19H,2,7-8,11H2,1H3.
What are the key properties of (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol?
(4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol has a molecular weight of 272.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol is sourced from PubChem (CID 79666005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).