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

C22H18N4O2 — CID 24879366

IUPAC1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one
SMILESCC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1
InChIInChI=1S/C22H18N4O2/c1-13-9-10-26(18-6-3-15(4-7-18)14(2)27)21(28)20(13)16-5-8-19-17(11-16)12-24-22(23)25-19/h3-12H,1-2H3,(H2,23,24,25)
InChIKeyYNVQXAFBFLYMLM-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.54
Rot. Bonds3

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

1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one (PubChem CID 24879366) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one
PubChem CID24879366
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one
SMILESCC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1
InChIInChI=1S/C22H18N4O2/c1-13-9-10-26(18-6-3-15(4-7-18)14(2)27)21(28)20(13)16-5-8-19-17(11-16)12-24-22(23)25-19/h3-12H,1-2H3,(H2,23,24,25)
InChIKeyYNVQXAFBFLYMLM-UHFFFAOYSA-N
XLogP3.54
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one (CID 24879366) is 1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one is CC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one?
The InChIKey is YNVQXAFBFLYMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-13-9-10-26(18-6-3-15(4-7-18)14(2)27)21(28)20(13)16-5-8-19-17(11-16)12-24-22(23)25-19/h3-12H,1-2H3,(H2,23,24,25).
What are the key properties of 1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one?
1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one has a molecular weight of 370.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2-one is sourced from PubChem (CID 24879366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).