3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one

C21H17FN4O — CID 24879243

IUPAC3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one
SMILESCc1cc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)ccc1F
InChIInChI=1S/C21H17FN4O/c1-12-7-8-26(16-4-5-17(22)13(2)9-16)20(27)19(12)14-3-6-18-15(10-14)11-24-21(23)25-18/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyWOKGDWSLHLGJCZ-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.79
Rot. Bonds2

About 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one

3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one (PubChem CID 24879243) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one
PubChem CID24879243
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one
SMILESCc1cc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)ccc1F
InChIInChI=1S/C21H17FN4O/c1-12-7-8-26(16-4-5-17(22)13(2)9-16)20(27)19(12)14-3-6-18-15(10-14)11-24-21(23)25-18/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyWOKGDWSLHLGJCZ-UHFFFAOYSA-N
XLogP3.79
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one (CID 24879243) is 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one is Cc1cc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)ccc1F.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one?
The InChIKey is WOKGDWSLHLGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-12-7-8-26(16-4-5-17(22)13(2)9-16)20(27)19(12)14-3-6-18-15(10-14)11-24-21(23)25-18/h3-11H,1-2H3,(H2,23,24,25).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one?
3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one has a molecular weight of 360.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 24879243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).