3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one

C22H21N3O2 — CID 7747963

About 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one (PubChem CID 7747963) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one
• PubChem CID: 7747963
• Molecular Formula: C22H21N3O2
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.16
• IUPAC Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one
• SMILES: Cc1nc(-c2ccccc2)cc(=O)n1CC(=O)N1CCCc2ccccc21
• InChI: InChI=1S/C22H21N3O2/c1-16-23-19(17-8-3-2-4-9-17)14-21(26)25(16)15-22(27)24-13-7-11-18-10-5-6-12-20(18)24/h2-6,8-10,12,14H,7,11,13,15H2,1H3
• InChIKey: QGFJMFLLWOMWCE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one?

The IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one (CID 7747963) is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one.

What is the SMILES notation for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one?

The canonical SMILES for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one is Cc1nc(-c2ccccc2)cc(=O)n1CC(=O)N1CCCc2ccccc21.

What is the InChIKey of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one?

The InChIKey is QGFJMFLLWOMWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-23-19(17-8-3-2-4-9-17)14-21(26)25(16)15-22(27)24-13-7-11-18-10-5-6-12-20(18)24/h2-6,8-10,12,14H,7,11,13,15H2,1H3.

What are the key properties of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one?

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one has a molecular weight of 359.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one is sourced from PubChem (CID 7747963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).