2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one

C23H30FN3O5Si — CID 137210835

IUPAC2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ncc(OCCO[Si](C)(C)C(C)(C)C)cc3F)nc2c1
InChIInChI=1S/C23H30FN3O5Si/c1-23(2,3)33(6,7)32-9-8-31-15-10-16(24)20(25-13-15)21-26-17-11-14(29-4)12-18(30-5)19(17)22(28)27-21/h10-13H,8-9H2,1-7H3,(H,26,27,28)
InChIKeyXHFOMADHGPFQPZ-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.54
Rot. Bonds8

About 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one

2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 137210835) has the molecular formula C23H30FN3O5Si and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one
PubChem CID137210835
Molecular FormulaC23H30FN3O5Si
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC Name2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ncc(OCCO[Si](C)(C)C(C)(C)C)cc3F)nc2c1
InChIInChI=1S/C23H30FN3O5Si/c1-23(2,3)33(6,7)32-9-8-31-15-10-16(24)20(25-13-15)21-26-17-11-14(29-4)12-18(30-5)19(17)22(28)27-21/h10-13H,8-9H2,1-7H3,(H,26,27,28)
InChIKeyXHFOMADHGPFQPZ-UHFFFAOYSA-N
XLogP4.54
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one (CID 137210835) is 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one is COc1cc(OC)c2c(=O)[nH]c(-c3ncc(OCCO[Si](C)(C)C(C)(C)C)cc3F)nc2c1.
What is the InChIKey of 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is XHFOMADHGPFQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O5Si/c1-23(2,3)33(6,7)32-9-8-31-15-10-16(24)20(25-13-15)21-26-17-11-14(29-4)12-18(30-5)19(17)22(28)27-21/h10-13H,8-9H2,1-7H3,(H,26,27,28).
What are the key properties of 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one?
2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 475.59 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoro-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 137210835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).