4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one

C20H20N2O3Si — CID 123214643

IUPAC4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one
SMILESCn1cc(-c2nc([Si](C)=O)ccc2OCC2CC2)c2ccccc2c1=O
InChIInChI=1S/C20H20N2O3Si/c1-22-11-16(14-5-3-4-6-15(14)20(22)23)19-17(25-12-13-7-8-13)9-10-18(21-19)26(2)24/h3-6,9-11,13H,7-8,12H2,1-2H3
InChIKeyHARWDTATXOUYPK-UHFFFAOYSA-N
MW364.48 g/mol
LogP2.65
Rot. Bonds5

About 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one

4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one (PubChem CID 123214643) has the molecular formula C20H20N2O3Si and a molecular weight of 364.48 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one
PubChem CID123214643
Molecular FormulaC20H20N2O3Si
Molecular Weight364.48 g/mol
Exact Mass364.12
IUPAC Name4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one
SMILESCn1cc(-c2nc([Si](C)=O)ccc2OCC2CC2)c2ccccc2c1=O
InChIInChI=1S/C20H20N2O3Si/c1-22-11-16(14-5-3-4-6-15(14)20(22)23)19-17(25-12-13-7-8-13)9-10-18(21-19)26(2)24/h3-6,9-11,13H,7-8,12H2,1-2H3
InChIKeyHARWDTATXOUYPK-UHFFFAOYSA-N
XLogP2.65
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one?
The IUPAC name of 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one (CID 123214643) is 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one is Cn1cc(-c2nc([Si](C)=O)ccc2OCC2CC2)c2ccccc2c1=O.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one?
The InChIKey is HARWDTATXOUYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3Si/c1-22-11-16(14-5-3-4-6-15(14)20(22)23)19-17(25-12-13-7-8-13)9-10-18(21-19)26(2)24/h3-6,9-11,13H,7-8,12H2,1-2H3.
What are the key properties of 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one?
4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one has a molecular weight of 364.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)-6-[methyl(oxo)silyl]-2-pyridinyl]-2-methylisoquinolin-1-one is sourced from PubChem (CID 123214643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).