7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

C28H39N5O4 — CID 137152318

About 7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 137152318) has the molecular formula C28H39N5O4 and a molecular weight of 509.65 g/mol. Its IUPAC name is 7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

• Compound Name: 7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
• PubChem CID: 137152318
• Molecular Formula: C28H39N5O4
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.30
• IUPAC Name: 7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
• SMILES: CCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(CCCCCOC)CC1
• InChI: InChI=1S/C28H39N5O4/c1-3-20-17-25-23(26-24(27(34)30-25)19-29-33(26)21-7-15-37-16-8-21)18-22(20)28(35)32-12-10-31(11-13-32)9-5-4-6-14-36-2/h17-19,21H,3-16H2,1-2H3,(H,30,34)
• InChIKey: SOZVKEJLSYTHNM-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 92.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 137152318) is 7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.

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

The canonical SMILES for 7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is CCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(CCCCCOC)CC1.

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

The InChIKey is SOZVKEJLSYTHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O4/c1-3-20-17-25-23(26-24(27(34)30-25)19-29-33(26)21-7-15-37-16-8-21)18-22(20)28(35)32-12-10-31(11-13-32)9-5-4-6-14-36-2/h17-19,21H,3-16H2,1-2H3,(H,30,34).

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

7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 509.65 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 137152318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).