5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one

C15H17N3O3 — CID 138034204

IUPAC5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one
SMILESCOc1ccc2c(c1)CN(C(=O)c1cn(C)c(=O)[nH]1)CC2
InChIInChI=1S/C15H17N3O3/c1-17-9-13(16-15(17)20)14(19)18-6-5-10-3-4-12(21-2)7-11(10)8-18/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyRELPVDXCSPTAGE-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.92
Rot. Bonds2

About 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one

5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one (PubChem CID 138034204) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one
PubChem CID138034204
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one
SMILESCOc1ccc2c(c1)CN(C(=O)c1cn(C)c(=O)[nH]1)CC2
InChIInChI=1S/C15H17N3O3/c1-17-9-13(16-15(17)20)14(19)18-6-5-10-3-4-12(21-2)7-11(10)8-18/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyRELPVDXCSPTAGE-UHFFFAOYSA-N
XLogP0.92
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
CID 176504288
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 119182591
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120975551
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071
5-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1-methylpyrimidine-2,4-dione
CID 135119938
7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 56819733
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 113205451
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one?
The IUPAC name of 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one (CID 138034204) is 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one is COc1ccc2c(c1)CN(C(=O)c1cn(C)c(=O)[nH]1)CC2.
What is the InChIKey of 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one?
The InChIKey is RELPVDXCSPTAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-9-13(16-15(17)20)14(19)18-6-5-10-3-4-12(21-2)7-11(10)8-18/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,20).
What are the key properties of 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one?
5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one has a molecular weight of 287.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 138034204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).