[(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane

C16H25N2O6PSi2 — CID 10502658

IUPAC[(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
SMILESCOc1nc2cc([N+](=O)[O-])ccc2cc1P(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H25N2O6PSi2/c1-22-16-15(25(21,23-26(2,3)4)24-27(5,6)7)10-12-8-9-13(18(19)20)11-14(12)17-16/h8-11H,1-7H3
InChIKeyLESSRFNRQOHDQV-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.67
Rot. Bonds7

About [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane

[(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane (PubChem CID 10502658) has the molecular formula C16H25N2O6PSi2 and a molecular weight of 428.53 g/mol. Its IUPAC name is [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
PubChem CID10502658
Molecular FormulaC16H25N2O6PSi2
Molecular Weight428.53 g/mol
Exact Mass428.10
IUPAC Name[(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
SMILESCOc1nc2cc([N+](=O)[O-])ccc2cc1P(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H25N2O6PSi2/c1-22-16-15(25(21,23-26(2,3)4)24-27(5,6)7)10-12-8-9-13(18(19)20)11-14(12)17-16/h8-11H,1-7H3
InChIKeyLESSRFNRQOHDQV-UHFFFAOYSA-N
XLogP4.67
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane 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

6-bromo-2-methoxy-3-(4-nitrophenyl)quinoline
CID 171566035
2-methoxy-4-nitrophenol;phosphoric acid
CID 174688966
ethyl 2-methyl-7-nitroquinoline-3-carboxylate
CID 13057616
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
2-methoxy-6-nitro-1,3-benzothiazole
CID 638562
N-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methyl]ethanimine
CID 18706780
methyl 6-nitro-2,1-benzoxazole-3-carboxylate
CID 12576421
1-(7-nitroquinolin-3-yl)ethanol
CID 133054214
cyclobutane;6-nitro-2,1-benzoxazole
CID 70414206
2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
CID 71347660
ethane;2-methoxy-4-nitrophenol
CID 91188946
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499

Frequently Asked Questions

What is the IUPAC name of [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
The IUPAC name of [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane (CID 10502658) is [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane.
What is the SMILES notation for [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
The canonical SMILES for [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane is COc1nc2cc([N+](=O)[O-])ccc2cc1P(=O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
The InChIKey is LESSRFNRQOHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N2O6PSi2/c1-22-16-15(25(21,23-26(2,3)4)24-27(5,6)7)10-12-8-9-13(18(19)20)11-14(12)17-16/h8-11H,1-7H3.
What are the key properties of [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
[(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane has a molecular weight of 428.53 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-7-nitroquinolin-3-yl)-trimethylsilyloxyphosphoryl]oxy-trimethylsilane is sourced from PubChem (CID 10502658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).