7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

C28H32N6O3 — CID 136505824

About 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505824) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

• Compound Name: 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
• PubChem CID: 136505824
• Molecular Formula: C28H32N6O3
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.25
• IUPAC Name: 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
• SMILES: Cc1cccc(CN2CCN(C(=O)c3cc4c(cc3C)[nH]c(=O)c3cnn(C5CCOCC5)c34)CC2)n1
• InChI: InChI=1S/C28H32N6O3/c1-18-14-25-23(26-24(27(35)31-25)16-29-34(26)21-6-12-37-13-7-21)15-22(18)28(36)33-10-8-32(9-11-33)17-20-5-3-4-19(2)30-20/h3-5,14-16,21H,6-13,17H2,1-2H3,(H,31,35)
• InChIKey: MBLHAPRTRPOUTE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 96.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?

The IUPAC name of 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505824) is 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.

What is the SMILES notation for 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?

The canonical SMILES for 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cccc(CN2CCN(C(=O)c3cc4c(cc3C)[nH]c(=O)c3cnn(C5CCOCC5)c34)CC2)n1.

What is the InChIKey of 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?

The InChIKey is MBLHAPRTRPOUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-18-14-25-23(26-24(27(35)31-25)16-29-34(26)21-6-12-37-13-7-21)15-22(18)28(36)33-10-8-32(9-11-33)17-20-5-3-4-19(2)30-20/h3-5,14-16,21H,6-13,17H2,1-2H3,(H,31,35).

What are the key properties of 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?

7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 500.60 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).