7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one

C11H11FN2O3 — CID 136951729

IUPAC7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one
SMILESCOCCOc1cc(F)cc2nc[nH]c(=O)c12
InChIInChI=1S/C11H11FN2O3/c1-16-2-3-17-9-5-7(12)4-8-10(9)11(15)14-6-13-8/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyUUXMJFPKGLSHAZ-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.09
Rot. Bonds4

About 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one

7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one (PubChem CID 136951729) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one
PubChem CID136951729
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one
SMILESCOCCOc1cc(F)cc2nc[nH]c(=O)c12
InChIInChI=1S/C11H11FN2O3/c1-16-2-3-17-9-5-7(12)4-8-10(9)11(15)14-6-13-8/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyUUXMJFPKGLSHAZ-UHFFFAOYSA-N
XLogP1.09
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one?
The IUPAC name of 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one (CID 136951729) is 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one?
The canonical SMILES for 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one is COCCOc1cc(F)cc2nc[nH]c(=O)c12.
What is the InChIKey of 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one?
The InChIKey is UUXMJFPKGLSHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-16-2-3-17-9-5-7(12)4-8-10(9)11(15)14-6-13-8/h4-6H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one?
7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one has a molecular weight of 238.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 136951729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).