[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol

C16H20N2O3 — CID 81208016

IUPAC[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nc(CO)cc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-11-10-21-14(9-20)7-18(11)16-15-5-3-2-4-12(15)6-13(8-19)17-16/h2-6,11,14,19-20H,7-10H2,1H3
InChIKeyXUVPELRUHJHWCS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.31
Rot. Bonds3

About [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol

[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81208016) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol
PubChem CID81208016
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nc(CO)cc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-11-10-21-14(9-20)7-18(11)16-15-5-3-2-4-12(15)6-13(8-19)17-16/h2-6,11,14,19-20H,7-10H2,1H3
InChIKeyXUVPELRUHJHWCS-UHFFFAOYSA-N
XLogP1.31
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol (CID 81208016) is [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1c1nc(CO)cc2ccccc12.
What is the InChIKey of [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is XUVPELRUHJHWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-10-21-14(9-20)7-18(11)16-15-5-3-2-4-12(15)6-13(8-19)17-16/h2-6,11,14,19-20H,7-10H2,1H3.
What are the key properties of [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol?
[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 288.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81208016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).