2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one

C17H17FN2O3 — CID 5018482

IUPAC2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESCOC(OC)C1Nc2ccccc2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-22-17(23-2)15-19-14-6-4-3-5-13(14)16(21)20(15)12-9-7-11(18)8-10-12/h3-10,15,17,19H,1-2H3
InChIKeyFIAWDZJPJHQTFN-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.84
Rot. Bonds4

About 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one

2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 5018482) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID5018482
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESCOC(OC)C1Nc2ccccc2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-22-17(23-2)15-19-14-6-4-3-5-13(14)16(21)20(15)12-9-7-11(18)8-10-12/h3-10,15,17,19H,1-2H3
InChIKeyFIAWDZJPJHQTFN-UHFFFAOYSA-N
XLogP2.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one (CID 5018482) is 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one is COC(OC)C1Nc2ccccc2C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is FIAWDZJPJHQTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-22-17(23-2)15-19-14-6-4-3-5-13(14)16(21)20(15)12-9-7-11(18)8-10-12/h3-10,15,17,19H,1-2H3.
What are the key properties of 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 316.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 5018482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).