1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C17H24N2O4S — CID 110309976

IUPAC1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3C(C)COCC3C)cc2C1
InChIInChI=1S/C17H24N2O4S/c1-12-10-23-11-13(2)19(12)24(21,22)17-5-4-15-6-7-18(14(3)20)9-16(15)8-17/h4-5,8,12-13H,6-7,9-11H2,1-3H3
InChIKeyQPEZQEKDMCQMEG-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.39
Rot. Bonds2

About 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 110309976) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID110309976
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3C(C)COCC3C)cc2C1
InChIInChI=1S/C17H24N2O4S/c1-12-10-23-11-13(2)19(12)24(21,22)17-5-4-15-6-7-18(14(3)20)9-16(15)8-17/h4-5,8,12-13H,6-7,9-11H2,1-3H3
InChIKeyQPEZQEKDMCQMEG-UHFFFAOYSA-N
XLogP1.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-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-acetyl-N-tert-butyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 51984543
2-acetyl-N-(2,6-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300841
1-[7-(4-hydroxy-4-phenylazepan-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 58282894
1-[7-[3-(5-methylfuran-2-yl)morpholin-4-yl]sulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
CID 138995368
N-[4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]phenyl]acetamide
CID 110300875
2-acetyl-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 51984534
1-[7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
CID 100637360
2,2,2-trifluoro-1-(7-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 3397959
1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 16750376
2,2-dimethyl-1-[7-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 70722162
2-acetyl-N-(3-chloro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300854
2-acetyl-N-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300879

Frequently Asked Questions

What is the IUPAC name of 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 110309976) is 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is CC(=O)N1CCc2ccc(S(=O)(=O)N3C(C)COCC3C)cc2C1.
What is the InChIKey of 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is QPEZQEKDMCQMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12-10-23-11-13(2)19(12)24(21,22)17-5-4-15-6-7-18(14(3)20)9-16(15)8-17/h4-5,8,12-13H,6-7,9-11H2,1-3H3.
What are the key properties of 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 352.46 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3,5-dimethylmorpholin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 110309976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).