7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C23H20N4O4S — CID 137429783

About 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429783) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 137429783
• Molecular Formula: C23H20N4O4S
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.12
• IUPAC Name: 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: COc1cccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCO2)c1
• InChI: InChI=1S/C23H20N4O4S/c1-30-15-6-4-5-14(11-15)18-12-27(9-10-31-18)23(29)16-13-32-20-19(16)25-21(26-22(20)28)17-7-2-3-8-24-17/h2-8,11,13,18H,9-10,12H2,1H3,(H,25,26,28)
• InChIKey: RFSHZUFDBOHHAF-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429783) is 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COc1cccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCO2)c1.

What is the InChIKey of 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is RFSHZUFDBOHHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-30-15-6-4-5-14(11-15)18-12-27(9-10-31-18)23(29)16-13-32-20-19(16)25-21(26-22(20)28)17-7-2-3-8-24-17/h2-8,11,13,18H,9-10,12H2,1H3,(H,25,26,28).

What are the key properties of 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 448.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).