[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone

C23H28N2O4 — CID 51362810

IUPAC[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1cc(CN2Cc3ccccc3CC2C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C23H28N2O4/c1-2-29-22-13-17(7-8-21(22)26)15-25-16-19-6-4-3-5-18(19)14-20(25)23(27)24-9-11-28-12-10-24/h3-8,13,20,26H,2,9-12,14-16H2,1H3
InChIKeyOHGIUHVVVBRJCJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.58
Rot. Bonds5

About [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone

[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 51362810) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID51362810
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1cc(CN2Cc3ccccc3CC2C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C23H28N2O4/c1-2-29-22-13-17(7-8-21(22)26)15-25-16-19-6-4-3-5-18(19)14-20(25)23(27)24-9-11-28-12-10-24/h3-8,13,20,26H,2,9-12,14-16H2,1H3
InChIKeyOHGIUHVVVBRJCJ-UHFFFAOYSA-N
XLogP2.58
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone 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

Moexipril
CID 91270
Moexipril Hydrochloride
CID 54889
Moexiprilat
CID 55331
benzyl 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 13044267
2-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 13044278
1-[1-(3,4-Diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methyl-piperazin-1-yl)-eth anone
CID 16682457
2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 4474936
(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 40466988
2-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 2836301
2-(2,2-Dimethylpropanoyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 3287029
2-(3,4-dimethoxyphenyl)-1-(1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
CID 3338205
1-(6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
CID 4103421

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone (CID 51362810) is [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone is CCOc1cc(CN2Cc3ccccc3CC2C(=O)N2CCOCC2)ccc1O.
What is the InChIKey of [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OHGIUHVVVBRJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-29-22-13-17(7-8-21(22)26)15-25-16-19-6-4-3-5-18(19)14-20(25)23(27)24-9-11-28-12-10-24/h3-8,13,20,26H,2,9-12,14-16H2,1H3.
What are the key properties of [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone?
[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 396.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51362810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).