2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone

C26H28N4O3 — CID 129360702

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
SMILESCOc1ccc(-c2nccnc2[C@H]2CN(C(=O)CN3CCc4ccccc4C3)CCO2)cc1
InChIInChI=1S/C26H28N4O3/c1-32-22-8-6-20(7-9-22)25-26(28-12-11-27-25)23-17-30(14-15-33-23)24(31)18-29-13-10-19-4-2-3-5-21(19)16-29/h2-9,11-12,23H,10,13-18H2,1H3/t23-/m1/s1
InChIKeyNTUQVQLHXABGIF-HSZRJFAPSA-N
MW444.54 g/mol
LogP3.11
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone (PubChem CID 129360702) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
PubChem CID129360702
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
SMILESCOc1ccc(-c2nccnc2[C@H]2CN(C(=O)CN3CCc4ccccc4C3)CCO2)cc1
InChIInChI=1S/C26H28N4O3/c1-32-22-8-6-20(7-9-22)25-26(28-12-11-27-25)23-17-30(14-15-33-23)24(31)18-29-13-10-19-4-2-3-5-21(19)16-29/h2-9,11-12,23H,10,13-18H2,1H3/t23-/m1/s1
InChIKeyNTUQVQLHXABGIF-HSZRJFAPSA-N
XLogP3.11
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone 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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 46956752
2-(1,3-dihydroisoindol-2-yl)-1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600443
2-(1,3-dihydroisoindol-2-yl)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600444
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[6-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 124973044
1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 93226788
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 125026040
3-(3-fluorophenoxy)-1-[2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one
CID 132772202
3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one
CID 129360718
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109000031
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone (CID 129360702) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone is COc1ccc(-c2nccnc2[C@H]2CN(C(=O)CN3CCc4ccccc4C3)CCO2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone?
The InChIKey is NTUQVQLHXABGIF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-32-22-8-6-20(7-9-22)25-26(28-12-11-27-25)23-17-30(14-15-33-23)24(31)18-29-13-10-19-4-2-3-5-21(19)16-29/h2-9,11-12,23H,10,13-18H2,1H3/t23-/m1/s1.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone has a molecular weight of 444.54 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 129360702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).