3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one

C25H23FN2O4 — CID 2030000

IUPAC3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2ccccc2F)cc1
InChIInChI=1S/C25H23FN2O4/c1-30-19-12-10-18(11-13-19)24-27-22-8-4-2-6-20(22)25(29)28(24)14-15-31-16-17-32-23-9-5-3-7-21(23)26/h2-13H,14-17H2,1H3
InChIKeyKYHLBIGUTYPWCL-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.31
Rot. Bonds9

About 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one

3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 2030000) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
PubChem CID2030000
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2ccccc2F)cc1
InChIInChI=1S/C25H23FN2O4/c1-30-19-12-10-18(11-13-19)24-27-22-8-4-2-6-20(22)25(29)28(24)14-15-31-16-17-32-23-9-5-3-7-21(23)26/h2-13H,14-17H2,1H3
InChIKeyKYHLBIGUTYPWCL-UHFFFAOYSA-N
XLogP4.31
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one (CID 2030000) is 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2ccccc2F)cc1.
What is the InChIKey of 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is KYHLBIGUTYPWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-30-19-12-10-18(11-13-19)24-27-22-8-4-2-6-20(22)25(29)28(24)14-15-31-16-17-32-23-9-5-3-7-21(23)26/h2-13H,14-17H2,1H3.
What are the key properties of 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one?
3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 434.47 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 2030000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).