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

C27H38ClN5O4 — CID 162307711

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

8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 162307711) has the molecular formula C27H38ClN5O4 and a molecular weight of 532.09 g/mol. Its IUPAC name is 8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

• Compound Name: 8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
• PubChem CID: 162307711
• Molecular Formula: C27H38ClN5O4
• Molecular Weight: 532.09 g/mol
• Exact Mass: 531.26
• IUPAC Name: 8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
• SMILES: COCCCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(C4CCOCC4)c23)CC1.Cl
• InChI: InChI=1S/C27H37N5O4.ClH/c1-19-16-24-22(25-23(26(33)29-24)18-28-32(25)20-6-14-36-15-7-20)17-21(19)27(34)31-11-9-30(10-12-31)8-4-3-5-13-35-2;/h16-18,20H,3-15H2,1-2H3,(H,29,33);1H
• InChIKey: LFMYXQCEUJOHOB-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 92.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.09
LogP ≤ 5	3.53
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 8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride?

The IUPAC name of 8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride (CID 162307711) is 8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride.

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

The canonical SMILES for 8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride is COCCCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(C4CCOCC4)c23)CC1.Cl.

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

The InChIKey is LFMYXQCEUJOHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O4.ClH/c1-19-16-24-22(25-23(26(33)29-24)18-28-32(25)20-6-14-36-15-7-20)17-21(19)27(34)31-11-9-30(10-12-31)8-4-3-5-13-35-2;/h16-18,20H,3-15H2,1-2H3,(H,29,33);1H.

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

8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 532.09 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 162307711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).