6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

C28H39N5O4Si2 — CID 90257734

IUPAC6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCOc1cc(-c2cccnc2-c2ncc[nH]2)cc2c(=O)n(COCC[Si](C)(C)C)cnc12
InChIInChI=1S/C28H39N5O4Si2/c1-38(2,3)14-12-35-19-33-18-32-25-23(28(33)34)16-21(17-24(25)37-20-36-13-15-39(4,5)6)22-8-7-9-29-26(22)27-30-10-11-31-27/h7-11,16-18H,12-15,19-20H2,1-6H3,(H,30,31)
InChIKeyJZMKLRQMSKKICQ-UHFFFAOYSA-N
MW565.82 g/mol
LogP5.85
Rot. Bonds13

About 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 90257734) has the molecular formula C28H39N5O4Si2 and a molecular weight of 565.82 g/mol. Its IUPAC name is 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID90257734
Molecular FormulaC28H39N5O4Si2
Molecular Weight565.82 g/mol
Exact Mass565.25
IUPAC Name6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCOc1cc(-c2cccnc2-c2ncc[nH]2)cc2c(=O)n(COCC[Si](C)(C)C)cnc12
InChIInChI=1S/C28H39N5O4Si2/c1-38(2,3)14-12-35-19-33-18-32-25-23(28(33)34)16-21(17-24(25)37-20-36-13-15-39(4,5)6)22-8-7-9-29-26(22)27-30-10-11-31-27/h7-11,16-18H,12-15,19-20H2,1-6H3,(H,30,31)
InChIKeyJZMKLRQMSKKICQ-UHFFFAOYSA-N
XLogP5.85
TPSA104.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.82
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 90257734) is 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is C[Si](C)(C)CCOCOc1cc(-c2cccnc2-c2ncc[nH]2)cc2c(=O)n(COCC[Si](C)(C)C)cnc12.
What is the InChIKey of 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is JZMKLRQMSKKICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O4Si2/c1-38(2,3)14-12-35-19-33-18-32-25-23(28(33)34)16-21(17-24(25)37-20-36-13-15-39(4,5)6)22-8-7-9-29-26(22)27-30-10-11-31-27/h7-11,16-18H,12-15,19-20H2,1-6H3,(H,30,31).
What are the key properties of 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 565.82 g/mol, XLogP of 5.85, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 90257734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).