2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C16H22N2O5S — CID 70762360

IUPAC2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCOCC(=O)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1
InChIInChI=1S/C16H22N2O5S/c1-22-12-16(19)17-6-5-13-3-2-4-15(14(13)11-17)24(20,21)18-7-9-23-10-8-18/h2-4H,5-12H2,1H3
InChIKeyRDYHYJKSAULLQG-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.24
Rot. Bonds4

About 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 70762360) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID70762360
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCOCC(=O)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1
InChIInChI=1S/C16H22N2O5S/c1-22-12-16(19)17-6-5-13-3-2-4-15(14(13)11-17)24(20,21)18-7-9-23-10-8-18/h2-4H,5-12H2,1H3
InChIKeyRDYHYJKSAULLQG-UHFFFAOYSA-N
XLogP0.24
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone with MolForge

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Related Compounds

2-methoxy-1-[8-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 70783625
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxyethanone
CID 60968764
3,4-dihydro-1H-isoquinolin-2-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 51284581
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)ethanone
CID 55346901
2-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 155339937
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
2-(benzhydrylideneamino)oxy-1-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 87837397
[2-(azepan-1-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521666
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4854960
2-morpholin-4-ylsulfonylphenol
CID 79020270
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 30147244
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-propoxyethanone
CID 107940216

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 70762360) is 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is COCC(=O)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1.
What is the InChIKey of 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is RDYHYJKSAULLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-22-12-16(19)17-6-5-13-3-2-4-15(14(13)11-17)24(20,21)18-7-9-23-10-8-18/h2-4H,5-12H2,1H3.
What are the key properties of 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 354.43 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 70762360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).