7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

C19H24N2O3Si — CID 142676475

IUPAC7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESC[Si](C)(C)CCOCOc1cccc2c1C(=O)Nc1ccccc1N2
InChIInChI=1S/C19H24N2O3Si/c1-25(2,3)12-11-23-13-24-17-10-6-9-16-18(17)19(22)21-15-8-5-4-7-14(15)20-16/h4-10,20H,11-13H2,1-3H3,(H,21,22)
InChIKeyDKQUJENVXVBSKU-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.69
Rot. Bonds6

About 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one (PubChem CID 142676475) has the molecular formula C19H24N2O3Si and a molecular weight of 356.50 g/mol. Its IUPAC name is 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
PubChem CID142676475
Molecular FormulaC19H24N2O3Si
Molecular Weight356.50 g/mol
Exact Mass356.16
IUPAC Name7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESC[Si](C)(C)CCOCOc1cccc2c1C(=O)Nc1ccccc1N2
InChIInChI=1S/C19H24N2O3Si/c1-25(2,3)12-11-23-13-24-17-10-6-9-16-18(17)19(22)21-15-8-5-4-7-14(15)20-16/h4-10,20H,11-13H2,1-3H3,(H,21,22)
InChIKeyDKQUJENVXVBSKU-UHFFFAOYSA-N
XLogP4.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
trimethyl-[2-[[2-(trifluoromethyl)phenoxy]methoxy]ethyl]silane
CID 177342967
2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 151839763
trimethyl-[2-[[7-(2-trimethylsilylethoxymethoxy)benzimidazol-1-yl]methoxy]ethyl]silane
CID 67293077
2-[2-(2-bromophenoxy)ethoxymethoxy]ethyl-trimethylsilane
CID 171066438
3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one
CID 141316248
3-chloro-4-[2-[2-(2-trimethylsilylethoxymethoxy)ethoxy]phenyl]benzaldehyde
CID 171066387
trimethyl-[2-[(2-tributylstannyl-3-pyridinyl)oxymethoxy]ethyl]silane
CID 175958741
3-[3-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]propanal
CID 87793860
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
2-[[3-(chloromethyl)phenoxy]methoxy]ethyl-trimethylsilane
CID 22127918

Frequently Asked Questions

What is the IUPAC name of 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The IUPAC name of 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one (CID 142676475) is 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The canonical SMILES for 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one is C[Si](C)(C)CCOCOc1cccc2c1C(=O)Nc1ccccc1N2.
What is the InChIKey of 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The InChIKey is DKQUJENVXVBSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3Si/c1-25(2,3)12-11-23-13-24-17-10-6-9-16-18(17)19(22)21-15-8-5-4-7-14(15)20-16/h4-10,20H,11-13H2,1-3H3,(H,21,22).
What are the key properties of 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one has a molecular weight of 356.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 142676475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).