1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one

C16H22N3O4+ — CID 8760544

IUPAC1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one
SMILESCOc1cc2c(cc1OC)C[NH+](CC(=O)N1CCNC1=O)CC2
InChIInChI=1S/C16H21N3O4/c1-22-13-7-11-3-5-18(9-12(11)8-14(13)23-2)10-15(20)19-6-4-17-16(19)21/h7-8H,3-6,9-10H2,1-2H3,(H,17,21)/p+1
InChIKeyDVUYMLMJXHBOMY-UHFFFAOYSA-O
MW320.37 g/mol
LogP-0.80
Rot. Bonds4

About 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one

1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one (PubChem CID 8760544) has the molecular formula C16H22N3O4+ and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one
PubChem CID8760544
Molecular FormulaC16H22N3O4+
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one
SMILESCOc1cc2c(cc1OC)C[NH+](CC(=O)N1CCNC1=O)CC2
InChIInChI=1S/C16H21N3O4/c1-22-13-7-11-3-5-18(9-12(11)8-14(13)23-2)10-15(20)19-6-4-17-16(19)21/h7-8H,3-6,9-10H2,1-2H3,(H,17,21)/p+1
InChIKeyDVUYMLMJXHBOMY-UHFFFAOYSA-O
XLogP-0.80
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one with MolForge

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Related Compounds

2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-prop-2-ynylacetamide
CID 8786631
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(2-methyl-1H-indol-3-yl)ethanone chloride
CID 44659793
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 2107540
N-(4-cyanophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 2086330
1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one
CID 8833597
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 8760578
4-chloro-N'-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]benzohydrazide
CID 2467877
N-(cyclohexylcarbamoyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 2088213
1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one
CID 8747738
N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8760687
N-(4-butylphenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 7643447
N-(2-chloro-4-methylphenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8760633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one (CID 8760544) is 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one is COc1cc2c(cc1OC)C[NH+](CC(=O)N1CCNC1=O)CC2.
What is the InChIKey of 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one?
The InChIKey is DVUYMLMJXHBOMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3O4/c1-22-13-7-11-3-5-18(9-12(11)8-14(13)23-2)10-15(20)19-6-4-17-16(19)21/h7-8H,3-6,9-10H2,1-2H3,(H,17,21)/p+1.
What are the key properties of 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one?
1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one has a molecular weight of 320.37 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 8760544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).