12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one

C22H26N2O2Si — CID 5459427

IUPAC12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one
SMILESCOc1ccc2nc3c(c([Si](C)(C)C(C)(C)C)c2c1)Cn1c-3cccc1=O
InChIInChI=1S/C22H26N2O2Si/c1-22(2,3)27(5,6)21-15-12-14(26-4)10-11-17(15)23-20-16(21)13-24-18(20)8-7-9-19(24)25/h7-12H,13H2,1-6H3
InChIKeyQBUPXYWAZHRARS-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.15
Rot. Bonds2

About 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one

12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one (PubChem CID 5459427) has the molecular formula C22H26N2O2Si and a molecular weight of 378.55 g/mol. Its IUPAC name is 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one.

Molecular Properties

Compound Name12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one
PubChem CID5459427
Molecular FormulaC22H26N2O2Si
Molecular Weight378.55 g/mol
Exact Mass378.18
IUPAC Name12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one
SMILESCOc1ccc2nc3c(c([Si](C)(C)C(C)(C)C)c2c1)Cn1c-3cccc1=O
InChIInChI=1S/C22H26N2O2Si/c1-22(2,3)27(5,6)21-15-12-14(26-4)10-11-17(15)23-20-16(21)13-24-18(20)8-7-9-19(24)25/h7-12H,13H2,1-6H3
InChIKeyQBUPXYWAZHRARS-UHFFFAOYSA-N
XLogP4.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one?
The IUPAC name of 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one (CID 5459427) is 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one.
What is the SMILES notation for 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one?
The canonical SMILES for 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one is COc1ccc2nc3c(c([Si](C)(C)C(C)(C)C)c2c1)Cn1c-3cccc1=O.
What is the InChIKey of 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one?
The InChIKey is QBUPXYWAZHRARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2Si/c1-22(2,3)27(5,6)21-15-12-14(26-4)10-11-17(15)23-20-16(21)13-24-18(20)8-7-9-19(24)25/h7-12H,13H2,1-6H3.
What are the key properties of 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one?
12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one has a molecular weight of 378.55 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(dimethyl)silyl]-2-methoxy-11H-indolizino[1,2-b]quinolin-9-one is sourced from PubChem (CID 5459427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).