[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol

C16H20N2O3 — CID 106541556

IUPAC[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol
SMILESCOc1ccc2ccnc(N3CC(CO)OCC3C)c2c1
InChIInChI=1S/C16H20N2O3/c1-11-10-21-14(9-19)8-18(11)16-15-7-13(20-2)4-3-12(15)5-6-17-16/h3-7,11,14,19H,8-10H2,1-2H3
InChIKeyJUIPJZLBFAPNDS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.83
Rot. Bonds3

About [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol

[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol (PubChem CID 106541556) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol
PubChem CID106541556
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol
SMILESCOc1ccc2ccnc(N3CC(CO)OCC3C)c2c1
InChIInChI=1S/C16H20N2O3/c1-11-10-21-14(9-19)8-18(11)16-15-7-13(20-2)4-3-12(15)5-6-17-16/h3-7,11,14,19H,8-10H2,1-2H3
InChIKeyJUIPJZLBFAPNDS-UHFFFAOYSA-N
XLogP1.83
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol
CID 81205715
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
CID 106542980
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
[4-[4-(aminomethyl)-3-chloro-2-pyridinyl]-5-methylmorpholin-2-yl]methanol
CID 107055699
[4-(2-amino-6-methoxypyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 114053206
1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320
3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 105382525
[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol
CID 81208016
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 106543635
1-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-7-methoxyisoquinoline
CID 25180239

Frequently Asked Questions

What is the IUPAC name of [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol (CID 106541556) is [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol is COc1ccc2ccnc(N3CC(CO)OCC3C)c2c1.
What is the InChIKey of [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is JUIPJZLBFAPNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-10-21-14(9-19)8-18(11)16-15-7-13(20-2)4-3-12(15)5-6-17-16/h3-7,11,14,19H,8-10H2,1-2H3.
What are the key properties of [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol?
[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 288.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 106541556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).