8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one

C16H16N2OSi — CID 68936789

IUPAC8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
SMILESC[Si](C)(C)C#Cc1ccc2[nH]c(=O)c3[nH]ccc3c2c1
InChIInChI=1S/C16H16N2OSi/c1-20(2,3)9-7-11-4-5-14-13(10-11)12-6-8-17-15(12)16(19)18-14/h4-6,8,10,17H,1-3H3,(H,18,19)
InChIKeyWTTIROFLOXCESO-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.24
Rot. Bonds

About 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one

8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one (PubChem CID 68936789) has the molecular formula C16H16N2OSi and a molecular weight of 280.40 g/mol. Its IUPAC name is 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
PubChem CID68936789
Molecular FormulaC16H16N2OSi
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
SMILESC[Si](C)(C)C#Cc1ccc2[nH]c(=O)c3[nH]ccc3c2c1
InChIInChI=1S/C16H16N2OSi/c1-20(2,3)9-7-11-4-5-14-13(10-11)12-6-8-17-15(12)16(19)18-14/h4-6,8,10,17H,1-3H3,(H,18,19)
InChIKeyWTTIROFLOXCESO-UHFFFAOYSA-N
XLogP3.24
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68936033
8-bromo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68934746
8-acetyl-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68940885
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride
CID 87717212
3-[methyl-[3-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)prop-2-ynyl]amino]propanenitrile;propanoate
CID 86627558
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68937970
8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68935708
N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68939319
8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid
CID 68935629
N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68938446
tert-butyl N-[4-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)phenyl]carbamate
CID 68939473
N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68934633

Frequently Asked Questions

What is the IUPAC name of 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The IUPAC name of 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one (CID 68936789) is 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The canonical SMILES for 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one is C[Si](C)(C)C#Cc1ccc2[nH]c(=O)c3[nH]ccc3c2c1.
What is the InChIKey of 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The InChIKey is WTTIROFLOXCESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OSi/c1-20(2,3)9-7-11-4-5-14-13(10-11)12-6-8-17-15(12)16(19)18-14/h4-6,8,10,17H,1-3H3,(H,18,19).
What are the key properties of 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one has a molecular weight of 280.40 g/mol, XLogP of 3.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-trimethylsilylethynyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one is sourced from PubChem (CID 68936789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).