3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one

C18H26N2O4 — CID 75488987

IUPAC3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)N1CCOCC1)CC2
InChIInChI=1S/C18H26N2O4/c1-22-16-11-14-3-5-19(13-15(14)12-17(16)23-2)6-4-18(21)20-7-9-24-10-8-20/h11-12H,3-10,13H2,1-2H3
InChIKeyNQXGSCMTCNYVKC-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.31
Rot. Bonds5

About 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 75488987) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID75488987
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)N1CCOCC1)CC2
InChIInChI=1S/C18H26N2O4/c1-22-16-11-14-3-5-19(13-15(14)12-17(16)23-2)6-4-18(21)20-7-9-24-10-8-20/h11-12H,3-10,13H2,1-2H3
InChIKeyNQXGSCMTCNYVKC-UHFFFAOYSA-N
XLogP1.31
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one (CID 75488987) is 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one is COc1cc2c(cc1OC)CN(CCC(=O)N1CCOCC1)CC2.
What is the InChIKey of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is NQXGSCMTCNYVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-16-11-14-3-5-19(13-15(14)12-17(16)23-2)6-4-18(21)20-7-9-24-10-8-20/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one?
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 334.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 75488987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).