1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone

C19H28N2O4 — CID 42955060

IUPAC1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)CN1CC(C)OCC1C)CC2
InChIInChI=1S/C19H28N2O4/c1-13-12-25-14(2)9-21(13)11-19(22)20-6-5-15-7-17(23-3)18(24-4)8-16(15)10-20/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyQDCZWBCQVIOWOR-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.70
Rot. Bonds4

About 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone (PubChem CID 42955060) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
PubChem CID42955060
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)CN1CC(C)OCC1C)CC2
InChIInChI=1S/C19H28N2O4/c1-13-12-25-14(2)9-21(13)11-19(22)20-6-5-15-7-17(23-3)18(24-4)8-16(15)10-20/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyQDCZWBCQVIOWOR-UHFFFAOYSA-N
XLogP1.70
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone with MolForge

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Related Compounds

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentane-1,4-dione
CID 60639059
(3S)-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55935267
2-(4-aminopiperidin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 119907485
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile
CID 4890644
methyl N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate
CID 110370976
3-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 11625057
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoindole-1,3-dione
CID 18776691
1-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 51226432
ethyl 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 8544646
3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 110686739
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-ethyltetrazol-1-yl)ethanone
CID 56818213
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 18206374

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone (CID 42955060) is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone is COc1cc2c(cc1OC)CN(C(=O)CN1CC(C)OCC1C)CC2.
What is the InChIKey of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone?
The InChIKey is QDCZWBCQVIOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-12-25-14(2)9-21(13)11-19(22)20-6-5-15-7-17(23-3)18(24-4)8-16(15)10-20/h7-8,13-14H,5-6,9-12H2,1-4H3.
What are the key properties of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone?
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone has a molecular weight of 348.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 42955060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).