2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C23H25N3O3 — CID 25354494

IUPAC2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(27)26-11-10-18-4-2-3-5-21(18)22(26)16-23(28)24-19-6-8-20(9-7-19)25-12-14-29-15-13-25/h2-11,22H,12-16H2,1H3,(H,24,28)/t22-/m1/s1
InChIKeyZJRHVQBJLGQMFU-JOCHJYFZSA-N
MW391.47 g/mol
LogP3.43
Rot. Bonds4

About 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 25354494) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID25354494
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(27)26-11-10-18-4-2-3-5-21(18)22(26)16-23(28)24-19-6-8-20(9-7-19)25-12-14-29-15-13-25/h2-11,22H,12-16H2,1H3,(H,24,28)/t22-/m1/s1
InChIKeyZJRHVQBJLGQMFU-JOCHJYFZSA-N
XLogP3.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 25356886
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
CID 8870960
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26708087
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-methylbenzamide
CID 17478920
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60552472
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 42934924
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 18117485
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide
CID 43013559
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 41183228
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 25435796
N-[4-[1-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]phenyl]propanamide
CID 46441324
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 25354494) is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZJRHVQBJLGQMFU-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17(27)26-11-10-18-4-2-3-5-21(18)22(26)16-23(28)24-19-6-8-20(9-7-19)25-12-14-29-15-13-25/h2-11,22H,12-16H2,1H3,(H,24,28)/t22-/m1/s1.
What are the key properties of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 25354494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).