2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane

C21H27N3O3Si — CID 167419750

IUPAC2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCOc1cc(-c2ccc(C)cn2)cc2c(OCOCC[Si](C)(C)C)ncnc12
InChIInChI=1S/C21H27N3O3Si/c1-15-6-7-18(22-12-15)16-10-17-20(19(11-16)25-2)23-13-24-21(17)27-14-26-8-9-28(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3
InChIKeyJIMIPVNZTVCQLB-UHFFFAOYSA-N
MW397.55 g/mol
LogP4.70
Rot. Bonds8

About 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane

2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 167419750) has the molecular formula C21H27N3O3Si and a molecular weight of 397.55 g/mol. Its IUPAC name is 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID167419750
Molecular FormulaC21H27N3O3Si
Molecular Weight397.55 g/mol
Exact Mass397.18
IUPAC Name2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCOc1cc(-c2ccc(C)cn2)cc2c(OCOCC[Si](C)(C)C)ncnc12
InChIInChI=1S/C21H27N3O3Si/c1-15-6-7-18(22-12-15)16-10-17-20(19(11-16)25-2)23-13-24-21(17)27-14-26-8-9-28(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3
InChIKeyJIMIPVNZTVCQLB-UHFFFAOYSA-N
XLogP4.70
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 54.70
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 155354079
N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane
CID 155728729
8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine
CID 175571129
6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 90258343
2-[[2-(1-cyclopropylideneethyl)-5-methylphenoxy]methoxy]ethyl-trimethylsilane
CID 10859695
2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
CID 158102825
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
4-methyl-6-(5-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine
CID 155349090
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655
3-[3-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]propanal
CID 87793860
8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine
CID 155340210
2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 158102826

Frequently Asked Questions

What is the IUPAC name of 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane (CID 167419750) is 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane is COc1cc(-c2ccc(C)cn2)cc2c(OCOCC[Si](C)(C)C)ncnc12.
What is the InChIKey of 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is JIMIPVNZTVCQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3Si/c1-15-6-7-18(22-12-15)16-10-17-20(19(11-16)25-2)23-13-24-21(17)27-14-26-8-9-28(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3.
What are the key properties of 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 397.55 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167419750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).