6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H25N3O4 — CID 135918296

About 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135918296) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135918296
• Molecular Formula: C22H25N3O4
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.18
• IUPAC Name: 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CCOc1ccc(CN2CCc3nc(-c4ccco4)[nH]c(=O)c3C2)cc1OCC
• InChI: InChI=1S/C22H25N3O4/c1-3-27-18-8-7-15(12-20(18)28-4-2)13-25-10-9-17-16(14-25)22(26)24-21(23-17)19-6-5-11-29-19/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,23,24,26)
• InChIKey: CCNXUNDBIKGTIO-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 80.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135918296) is 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCOc1ccc(CN2CCc3nc(-c4ccco4)[nH]c(=O)c3C2)cc1OCC.

What is the InChIKey of 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is CCNXUNDBIKGTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-27-18-8-7-15(12-20(18)28-4-2)13-25-10-9-17-16(14-25)22(26)24-21(23-17)19-6-5-11-29-19/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,23,24,26).

What are the key properties of 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 395.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135918296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).