3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one

C20H16N4O — CID 24879306

IUPAC3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one
SMILESCc1ccn(-c2ccccc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C20H16N4O/c1-13-9-10-24(16-5-3-2-4-6-16)19(25)18(13)14-7-8-17-15(11-14)12-22-20(21)23-17/h2-12H,1H3,(H2,21,22,23)
InChIKeyLHHCZOUDWJLWHD-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.34
Rot. Bonds2

About 3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one

3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one (PubChem CID 24879306) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one
PubChem CID24879306
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one
SMILESCc1ccn(-c2ccccc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C20H16N4O/c1-13-9-10-24(16-5-3-2-4-6-16)19(25)18(13)14-7-8-17-15(11-14)12-22-20(21)23-17/h2-12H,1H3,(H2,21,22,23)
InChIKeyLHHCZOUDWJLWHD-UHFFFAOYSA-N
XLogP3.34
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.34
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)-4-methyl-1-phenylpyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one (CID 24879306) is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one is Cc1ccn(-c2ccccc2)c(=O)c1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one?
The InChIKey is LHHCZOUDWJLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-9-10-24(16-5-3-2-4-6-16)19(25)18(13)14-7-8-17-15(11-14)12-22-20(21)23-17/h2-12H,1H3,(H2,21,22,23).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one?
3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2-one has a molecular weight of 328.38 g/mol, XLogP of 3.34, 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)-4-methyl-1-phenylpyridin-2-one is sourced from PubChem (CID 24879306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).