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

C21H17FN4O — CID 24879311

IUPAC3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one
SMILESCc1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1F
InChIInChI=1S/C21H17FN4O/c1-12-3-5-16(10-17(12)22)26-8-7-13(2)19(20(26)27)14-4-6-18-15(9-14)11-24-21(23)25-18/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyUCMYLPJAVAGSBP-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.79
Rot. Bonds2

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

3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one (PubChem CID 24879311) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one
PubChem CID24879311
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one
SMILESCc1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1F
InChIInChI=1S/C21H17FN4O/c1-12-3-5-16(10-17(12)22)26-8-7-13(2)19(20(26)27)14-4-6-18-15(9-14)11-24-21(23)25-18/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyUCMYLPJAVAGSBP-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-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one (CID 24879311) is 3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one is Cc1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1F.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one?
The InChIKey is UCMYLPJAVAGSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-12-3-5-16(10-17(12)22)26-8-7-13(2)19(20(26)27)14-4-6-18-15(9-14)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-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one?
3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 24879311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).