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

C24H20ClN3O3 — CID 135862208

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

2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862208) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135862208
• Molecular Formula: C24H20ClN3O3
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.12
• IUPAC Name: 2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1ccc2occ(CN3CCc4nc(-c5ccc(Cl)cc5)[nH]c(=O)c4C3)c(=O)c2c1
• InChI: InChI=1S/C24H20ClN3O3/c1-14-2-7-21-18(10-14)22(29)16(13-31-21)11-28-9-8-20-19(12-28)24(30)27-23(26-20)15-3-5-17(25)6-4-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,30)
• InChIKey: LPQPAUJERQUSLI-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 79.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862208) is 2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc2occ(CN3CCc4nc(-c5ccc(Cl)cc5)[nH]c(=O)c4C3)c(=O)c2c1.

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

The InChIKey is LPQPAUJERQUSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-14-2-7-21-18(10-14)22(29)16(13-31-21)11-28-9-8-20-19(12-28)24(30)27-23(26-20)15-3-5-17(25)6-4-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,30).

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

2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 433.90 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).