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

C28H30N4O2 — CID 136505814

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

1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505814) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
• PubChem CID: 136505814
• Molecular Formula: C28H30N4O2
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.24
• IUPAC Name: 1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
• SMILES: Cc1cc2[nH]c(=O)c3cnn(C4CCCC4)c3c2cc1C(=O)N1CCC(c2ccccc2)CC1
• InChI: InChI=1S/C28H30N4O2/c1-18-15-25-23(26-24(27(33)30-25)17-29-32(26)21-9-5-6-10-21)16-22(18)28(34)31-13-11-20(12-14-31)19-7-3-2-4-8-19/h2-4,7-8,15-17,20-21H,5-6,9-14H2,1H3,(H,30,33)
• InChIKey: ROTQIKIYJGOYOZ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 70.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505814) is 1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one.

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

The canonical SMILES for 1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cc2[nH]c(=O)c3cnn(C4CCCC4)c3c2cc1C(=O)N1CCC(c2ccccc2)CC1.

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

The InChIKey is ROTQIKIYJGOYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-18-15-25-23(26-24(27(33)30-25)17-29-32(26)21-9-5-6-10-21)16-22(18)28(34)31-13-11-20(12-14-31)19-7-3-2-4-8-19/h2-4,7-8,15-17,20-21H,5-6,9-14H2,1H3,(H,30,33).

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

1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 454.57 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).