[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol
CID 81208068
[1-(3,4,5-trimethylpiperazin-1-yl)isoquinolin-3-yl]methanol
CID 114538878
[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 114594753
(5-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 81218885
[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
CID 102885836
[4-[6-(hydroxymethyl)pyrazin-2-yl]-5-methylmorpholin-2-yl]methanol
CID 81219850
(5-methyl-4-quinazolin-2-ylmorpholin-2-yl)methanol
CID 114789622
[5-methyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]morpholin-2-yl]methanol
CID 81193773
[4-(6-bromo-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81208358
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
[4-[4-(aminomethyl)-3-chloro-2-pyridinyl]-5-methylmorpholin-2-yl]methanol
CID 107055699
[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol
CID 106541556

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).