8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one

C14H15NO3 — CID 46918660

IUPAC8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESCOc1cc2c(c(OC)c1)C1=CCC(=O)N1CC2
InChIInChI=1S/C14H15NO3/c1-17-10-7-9-5-6-15-11(3-4-13(15)16)14(9)12(8-10)18-2/h3,7-8H,4-6H2,1-2H3
InChIKeyVDLXJWYZLYXZLI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.83
Rot. Bonds2

About 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one

8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 46918660) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one
PubChem CID46918660
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESCOc1cc2c(c(OC)c1)C1=CCC(=O)N1CC2
InChIInChI=1S/C14H15NO3/c1-17-10-7-9-5-6-15-11(3-4-13(15)16)14(9)12(8-10)18-2/h3,7-8H,4-6H2,1-2H3
InChIKeyVDLXJWYZLYXZLI-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 94694165
(9-acetyloxy-3-oxo-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-8-yl) acetate
CID 14184483
6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane
CID 143278523
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
8,10-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
CID 58147731
3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol
CID 71437517
6,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 121016424
(4R,7Z)-14,16-dimethoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),7,13,15-tetraen-2-one
CID 71600221
(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one
CID 102347263
2-(4-chloro-3-nitrophenyl)sulfonyl-6,8-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 71040445
5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 166296766
1-(3,5-dichlorophenyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59996001

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one (CID 46918660) is 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one is COc1cc2c(c(OC)c1)C1=CCC(=O)N1CC2.
What is the InChIKey of 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is VDLXJWYZLYXZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-10-7-9-5-6-15-11(3-4-13(15)16)14(9)12(8-10)18-2/h3,7-8H,4-6H2,1-2H3.
What are the key properties of 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one?
8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 245.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 46918660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).