6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride

C24H29ClN2O4 — CID 68520213

IUPAC6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride
SMILESCOc1ccc2c(=O)n(C)c(COCCN3CCOCC3)c(-c3ccccc3)c2c1.Cl
InChIInChI=1S/C24H28N2O4.ClH/c1-25-22(17-30-15-12-26-10-13-29-14-11-26)23(18-6-4-3-5-7-18)21-16-19(28-2)8-9-20(21)24(25)27;/h3-9,16H,10-15,17H2,1-2H3;1H
InChIKeyCGOHFXOSNSIYCP-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.48
Rot. Bonds7

About 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride

6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride (PubChem CID 68520213) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride
PubChem CID68520213
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC Name6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride
SMILESCOc1ccc2c(=O)n(C)c(COCCN3CCOCC3)c(-c3ccccc3)c2c1.Cl
InChIInChI=1S/C24H28N2O4.ClH/c1-25-22(17-30-15-12-26-10-13-29-14-11-26)23(18-6-4-3-5-7-18)21-16-19(28-2)8-9-20(21)24(25)27;/h3-9,16H,10-15,17H2,1-2H3;1H
InChIKeyCGOHFXOSNSIYCP-UHFFFAOYSA-N
XLogP3.48
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride with MolForge

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Related Compounds

3-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-6-methoxy-2-methyl-4-phenylisoquinolin-1-one;hydrochloride
CID 68517864
6-methoxy-3-[(6-methoxy-2-methyl-7-oxo-4-phenyl-6,8-dihydroisoquinolin-3-yl)methoxymethyl]-2-methyl-4-phenylisoquinolin-1-one
CID 69469122
N',N'-diethyl-N-[(6-methoxy-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]propanehydrazide
CID 22555965
3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide
CID 68519679
2,6,7-trimethyl-4-phenyl-3-(phenylmethoxymethyl)isoquinolin-1-one
CID 67690641
3-(1-acetylpiperidin-4-yl)-6-methoxy-2-methyl-4-phenylisoquinolin-1-one
CID 11417906
2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride
CID 173089205
6-methoxy-2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-4-phenylisoquinolin-1-one
CID 11339320
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 21084005
7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one
CID 10182867
2-methyl-4-phenyl-3-(pyrrolidin-1-ylmethyl)isoquinolin-1-one
CID 22555926

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride?
The IUPAC name of 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride (CID 68520213) is 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride.
What is the SMILES notation for 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride?
The canonical SMILES for 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride is COc1ccc2c(=O)n(C)c(COCCN3CCOCC3)c(-c3ccccc3)c2c1.Cl.
What is the InChIKey of 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride?
The InChIKey is CGOHFXOSNSIYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4.ClH/c1-25-22(17-30-15-12-26-10-13-29-14-11-26)23(18-6-4-3-5-7-18)21-16-19(28-2)8-9-20(21)24(25)27;/h3-9,16H,10-15,17H2,1-2H3;1H.
What are the key properties of 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride?
6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride has a molecular weight of 444.96 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-(2-morpholin-4-ylethoxymethyl)-4-phenylisoquinolin-1-one;hydrochloride is sourced from PubChem (CID 68520213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).