isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol

C15H18N2O2 — CID 103143463

IUPACisoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol
SMILESCN1CCOC(C(O)c2cccc3ccncc23)C1
InChIInChI=1S/C15H18N2O2/c1-17-7-8-19-14(10-17)15(18)12-4-2-3-11-5-6-16-9-13(11)12/h2-6,9,14-15,18H,7-8,10H2,1H3
InChIKeyUDSTXIVDTBLJMV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.60
Rot. Bonds2

About isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol

isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol (PubChem CID 103143463) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol
PubChem CID103143463
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameisoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol
SMILESCN1CCOC(C(O)c2cccc3ccncc23)C1
InChIInChI=1S/C15H18N2O2/c1-17-7-8-19-14(10-17)15(18)12-4-2-3-11-5-6-16-9-13(11)12/h2-6,9,14-15,18H,7-8,10H2,1H3
InChIKeyUDSTXIVDTBLJMV-UHFFFAOYSA-N
XLogP1.60
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol?
The IUPAC name of isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol (CID 103143463) is isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol.
What is the SMILES notation for isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol?
The canonical SMILES for isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol is CN1CCOC(C(O)c2cccc3ccncc23)C1.
What is the InChIKey of isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol?
The InChIKey is UDSTXIVDTBLJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-7-8-19-14(10-17)15(18)12-4-2-3-11-5-6-16-9-13(11)12/h2-6,9,14-15,18H,7-8,10H2,1H3.
What are the key properties of isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol?
isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol has a molecular weight of 258.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol is sourced from PubChem (CID 103143463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).