1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one

C21H24N4O2 — CID 147038523

IUPAC1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one
SMILESC[C@H]1CN(CC(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)CCO1
InChIInChI=1S/C21H24N4O2/c1-15-12-25(5-6-27-15)13-20(26)9-19-8-18-7-16(3-4-17(18)10-23-19)21-11-22-14-24(21)2/h3-4,7-8,10-11,14-15H,5-6,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyAYZQPLFGGMCTAH-HNNXBMFYSA-N
MW364.45 g/mol
LogP2.47
Rot. Bonds5

About 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one

1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one (PubChem CID 147038523) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one
PubChem CID147038523
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one
SMILESC[C@H]1CN(CC(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)CCO1
InChIInChI=1S/C21H24N4O2/c1-15-12-25(5-6-27-15)13-20(26)9-19-8-18-7-16(3-4-17(18)10-23-19)21-11-22-14-24(21)2/h3-4,7-8,10-11,14-15H,5-6,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyAYZQPLFGGMCTAH-HNNXBMFYSA-N
XLogP2.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one 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

1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 153087123
1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 158091038
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 147308909
1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 157134391
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethanone
CID 147155826
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 149080045
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 147204772
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147352426
1-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-one
CID 158647808
1-[(3R)-3-methylmorpholin-4-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 147321266
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]ethanone
CID 149088462
2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone
CID 158654174

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one?
The IUPAC name of 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one (CID 147038523) is 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one.
What is the SMILES notation for 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one?
The canonical SMILES for 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one is C[C@H]1CN(CC(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)CCO1.
What is the InChIKey of 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one?
The InChIKey is AYZQPLFGGMCTAH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-12-25(5-6-27-15)13-20(26)9-19-8-18-7-16(3-4-17(18)10-23-19)21-11-22-14-24(21)2/h3-4,7-8,10-11,14-15H,5-6,9,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one?
1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one is sourced from PubChem (CID 147038523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).