5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one

C17H20N2O3Si — CID 90080794

IUPAC5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one
SMILESCC1(c2ccc3ccccc3n2)OC(N)=C(O[Si](C)(C)C)C1=O
InChIInChI=1S/C17H20N2O3Si/c1-17(13-10-9-11-7-5-6-8-12(11)19-13)15(20)14(16(18)21-17)22-23(2,3)4/h5-10H,18H2,1-4H3
InChIKeyATEZDNKWCXIGIT-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.03
Rot. Bonds3

About 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one

5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one (PubChem CID 90080794) has the molecular formula C17H20N2O3Si and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one.

Molecular Properties

Compound Name5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one
PubChem CID90080794
Molecular FormulaC17H20N2O3Si
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one
SMILESCC1(c2ccc3ccccc3n2)OC(N)=C(O[Si](C)(C)C)C1=O
InChIInChI=1S/C17H20N2O3Si/c1-17(13-10-9-11-7-5-6-8-12(11)19-13)15(20)14(16(18)21-17)22-23(2,3)4/h5-10H,18H2,1-4H3
InChIKeyATEZDNKWCXIGIT-UHFFFAOYSA-N
XLogP3.03
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
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 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one?
The IUPAC name of 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one (CID 90080794) is 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one.
What is the SMILES notation for 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one?
The canonical SMILES for 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one is CC1(c2ccc3ccccc3n2)OC(N)=C(O[Si](C)(C)C)C1=O.
What is the InChIKey of 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one?
The InChIKey is ATEZDNKWCXIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3Si/c1-17(13-10-9-11-7-5-6-8-12(11)19-13)15(20)14(16(18)21-17)22-23(2,3)4/h5-10H,18H2,1-4H3.
What are the key properties of 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one?
5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one has a molecular weight of 328.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-2-quinolin-2-yl-4-trimethylsilyloxyfuran-3-one is sourced from PubChem (CID 90080794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).