8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one

C22H33ClIN3O3Si2 — CID 171842684

IUPAC8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one
SMILESC[Si](C)(C)CCOCn1c(=O)n(COCC[Si](C)(C)C)c2nc3ccc(I)c(Cl)c3cc21
InChIInChI=1S/C22H33ClIN3O3Si2/c1-31(2,3)11-9-29-14-26-19-13-16-18(8-7-17(24)20(16)23)25-21(19)27(22(26)28)15-30-10-12-32(4,5)6/h7-8,13H,9-12,14-15H2,1-6H3
InChIKeyBALMSMMAKXJYSG-UHFFFAOYSA-N
MW606.05 g/mol
LogP6.23
Rot. Bonds10

About 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one

8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one (PubChem CID 171842684) has the molecular formula C22H33ClIN3O3Si2 and a molecular weight of 606.05 g/mol. Its IUPAC name is 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one
PubChem CID171842684
Molecular FormulaC22H33ClIN3O3Si2
Molecular Weight606.05 g/mol
Exact Mass605.08
IUPAC Name8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one
SMILESC[Si](C)(C)CCOCn1c(=O)n(COCC[Si](C)(C)C)c2nc3ccc(I)c(Cl)c3cc21
InChIInChI=1S/C22H33ClIN3O3Si2/c1-31(2,3)11-9-29-14-26-19-13-16-18(8-7-17(24)20(16)23)25-21(19)27(22(26)28)15-30-10-12-32(4,5)6/h7-8,13H,9-12,14-15H2,1-6H3
InChIKeyBALMSMMAKXJYSG-UHFFFAOYSA-N
XLogP6.23
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.05
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
4-chloro-2-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 171614713
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
[6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate
CID 156870463
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione
CID 59299565
3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
CID 58577628
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one?
The IUPAC name of 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one (CID 171842684) is 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one is C[Si](C)(C)CCOCn1c(=O)n(COCC[Si](C)(C)C)c2nc3ccc(I)c(Cl)c3cc21.
What is the InChIKey of 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one?
The InChIKey is BALMSMMAKXJYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClIN3O3Si2/c1-31(2,3)11-9-29-14-26-19-13-16-18(8-7-17(24)20(16)23)25-21(19)27(22(26)28)15-30-10-12-32(4,5)6/h7-8,13H,9-12,14-15H2,1-6H3.
What are the key properties of 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one?
8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one has a molecular weight of 606.05 g/mol, XLogP of 6.23, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 171842684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).