2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine

C21H22N2O2 — CID 110218627

IUPAC2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
SMILESCOc1ccccc1CN1CCOC(c2cc3ccccc3cn2)C1
InChIInChI=1S/C21H22N2O2/c1-24-20-9-5-4-8-18(20)14-23-10-11-25-21(15-23)19-12-16-6-2-3-7-17(16)13-22-19/h2-9,12-13,21H,10-11,14-15H2,1H3
InChIKeyKLOLSINMLSLXGW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.82
Rot. Bonds4

About 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine

2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine (PubChem CID 110218627) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
PubChem CID110218627
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
SMILESCOc1ccccc1CN1CCOC(c2cc3ccccc3cn2)C1
InChIInChI=1S/C21H22N2O2/c1-24-20-9-5-4-8-18(20)14-23-10-11-25-21(15-23)19-12-16-6-2-3-7-17(16)13-22-19/h2-9,12-13,21H,10-11,14-15H2,1H3
InChIKeyKLOLSINMLSLXGW-UHFFFAOYSA-N
XLogP3.82
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 110218665
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 92600896
6-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112505
4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 79674457
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
CID 124973703
N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 127249181
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 127249198
6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251780
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrazin-2-ylmorpholine
CID 124954317
4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125025576
(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 124943789

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine?
The IUPAC name of 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine (CID 110218627) is 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine is COc1ccccc1CN1CCOC(c2cc3ccccc3cn2)C1.
What is the InChIKey of 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine?
The InChIKey is KLOLSINMLSLXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-24-20-9-5-4-8-18(20)14-23-10-11-25-21(15-23)19-12-16-6-2-3-7-17(16)13-22-19/h2-9,12-13,21H,10-11,14-15H2,1H3.
What are the key properties of 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine?
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine has a molecular weight of 334.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 110218627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).