8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

C19H24N2OSi — CID 58574167

IUPAC8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESCC1CCc2nc3cc(C#C[Si](C)(C)C)ccc3c(=O)n2CC1
InChIInChI=1S/C19H24N2OSi/c1-14-5-8-18-20-17-13-15(10-12-23(2,3)4)6-7-16(17)19(22)21(18)11-9-14/h6-7,13-14H,5,8-9,11H2,1-4H3
InChIKeyOVDFTRVIIQMBLB-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.60
Rot. Bonds

About 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (PubChem CID 58574167) has the molecular formula C19H24N2OSi and a molecular weight of 324.50 g/mol. Its IUPAC name is 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
PubChem CID58574167
Molecular FormulaC19H24N2OSi
Molecular Weight324.50 g/mol
Exact Mass324.17
IUPAC Name8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESCC1CCc2nc3cc(C#C[Si](C)(C)C)ccc3c(=O)n2CC1
InChIInChI=1S/C19H24N2OSi/c1-14-5-8-18-20-17-13-15(10-12-23(2,3)4)6-7-16(17)19(22)21(18)11-9-14/h6-7,13-14H,5,8-9,11H2,1-4H3
InChIKeyOVDFTRVIIQMBLB-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one with MolForge

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Related Compounds

9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one
CID 58574262
8-methyl-3-[(E)-2-pyridin-2-ylethenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 58574762
6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 58574855
6-bromo-13-methyl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 58574333
8,8-dimethyl-3-[2-(3-methylphenyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;methane;7-methyl-3-(2-pyridin-2-ylethynyl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 161270914
8-hydroxy-3-(2-pyridin-2-ylethynyl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 58574163
8-(hydroxymethyl)-3-[2-(3-methylphenyl)ethynyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 90273542
4-[2-(12'-oxospiro[1,3-dioxolane-2,8'-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline]-3'-yl)ethynyl]benzonitrile
CID 58574812
3-bromo-8-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 58574237
6-[2-(3-fluorophenyl)ethynyl]-13-methyl-1,9,13-triazatricyclo[8.8.0.03,8]octadeca-3(8),4,6,9-tetraen-2-one
CID 123302834
3'-[2-(3,4-difluorophenyl)ethynyl]spiro[1,3-dioxolane-2,8'-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline]-12'-one
CID 58574930
(8S)-8-methoxy-8-methyl-3-(2-pyridin-2-ylethynyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one
CID 67260801

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The IUPAC name of 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (CID 58574167) is 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The canonical SMILES for 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is CC1CCc2nc3cc(C#C[Si](C)(C)C)ccc3c(=O)n2CC1.
What is the InChIKey of 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The InChIKey is OVDFTRVIIQMBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OSi/c1-14-5-8-18-20-17-13-15(10-12-23(2,3)4)6-7-16(17)19(22)21(18)11-9-14/h6-7,13-14H,5,8-9,11H2,1-4H3.
What are the key properties of 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one has a molecular weight of 324.50 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-trimethylsilylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 58574167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).