3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C33H31N3O — CID 59314793

About 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 59314793) has the molecular formula C33H31N3O and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 59314793
• Molecular Formula: C33H31N3O
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.25
• IUPAC Name: 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1ccc(CN2CCc3nc(C)n(C(c4ccccc4)c4ccccc4)c(=O)c3C2)c2ccccc12
• InChI: InChI=1S/C33H31N3O/c1-23-17-18-27(29-16-10-9-15-28(23)29)21-35-20-19-31-30(22-35)33(37)36(24(2)34-31)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-18,32H,19-22H2,1-2H3
• InChIKey: UUHXIVCDHYASLK-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 38.13 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 59314793) is 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is Cc1ccc(CN2CCc3nc(C)n(C(c4ccccc4)c4ccccc4)c(=O)c3C2)c2ccccc12.

What is the InChIKey of 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is UUHXIVCDHYASLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O/c1-23-17-18-27(29-16-10-9-15-28(23)29)21-35-20-19-31-30(22-35)33(37)36(24(2)34-31)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-18,32H,19-22H2,1-2H3.

What are the key properties of 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 485.63 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 59314793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).