2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C22H22N4O2 — CID 69454639

About 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69454639) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 69454639
• Molecular Formula: C22H22N4O2
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.17
• IUPAC Name: 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
• SMILES: CCOc1cccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1
• InChI: InChI=1S/C22H22N4O2/c1-3-28-20-10-6-9-17(25-20)16-8-5-4-7-15(16)14-11-18-21(19(27)12-14)13(2)24-22(23)26-18/h4-10,14H,3,11-12H2,1-2H3,(H2,23,24,26)
• InChIKey: HRTNUKLQAFAHOT-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 90.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69454639) is 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is CCOc1cccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1.

What is the InChIKey of 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is HRTNUKLQAFAHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-28-20-10-6-9-17(25-20)16-8-5-4-7-15(16)14-11-18-21(19(27)12-14)13(2)24-22(23)26-18/h4-10,14H,3,11-12H2,1-2H3,(H2,23,24,26).

What are the key properties of 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 374.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69454639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).