1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one

C28H36N6O3 — CID 136505747

About 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one

1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505747) has the molecular formula C28H36N6O3 and a molecular weight of 504.64 g/mol. Its IUPAC name is 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
• PubChem CID: 136505747
• Molecular Formula: C28H36N6O3
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.28
• IUPAC Name: 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
• SMILES: Cc1cc2[nH]c(=O)c3cnn(C4CCCC4)c3c2cc1C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1
• InChI: InChI=1S/C28H36N6O3/c1-18-15-24-22(25-23(26(35)30-24)17-29-34(25)20-5-3-4-6-20)16-21(18)28(37)32-9-7-19(8-10-32)27(36)33-13-11-31(2)12-14-33/h15-17,19-20H,3-14H2,1-2H3,(H,30,35)
• InChIKey: DSQMCCCQCJZSNA-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 94.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?

The IUPAC name of 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505747) is 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one.

What is the SMILES notation for 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?

The canonical SMILES for 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cc2[nH]c(=O)c3cnn(C4CCCC4)c3c2cc1C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1.

What is the InChIKey of 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?

The InChIKey is DSQMCCCQCJZSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3/c1-18-15-24-22(25-23(26(35)30-24)17-29-34(25)20-5-3-4-6-20)16-21(18)28(37)32-9-7-19(8-10-32)27(36)33-13-11-31(2)12-14-33/h15-17,19-20H,3-14H2,1-2H3,(H,30,35).

What are the key properties of 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?

1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 504.64 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).