3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one

C33H34N4O2 — CID 134330175

About 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one

3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one (PubChem CID 134330175) has the molecular formula C33H34N4O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one.

Molecular Properties

• Compound Name: 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one
• PubChem CID: 134330175
• Molecular Formula: C33H34N4O2
• Molecular Weight: 518.66 g/mol
• Exact Mass: 518.27
• IUPAC Name: 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one
• SMILES: Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5ccc6ccccn6c5=O)CC4)cc3c2C(C)C)cc(C)n1
• InChI: InChI=1S/C33H34N4O2/c1-20(2)30-28-19-24(8-11-29(28)35-31(30)25-17-21(3)34-22(4)18-25)23-12-15-36(16-13-23)32(38)27-10-9-26-7-5-6-14-37(26)33(27)39/h5-11,14,17-20,23,35H,12-13,15-16H2,1-4H3
• InChIKey: LYZZHPQWJWSIKI-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.66
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one?

The IUPAC name of 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one (CID 134330175) is 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one.

What is the SMILES notation for 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one?

The canonical SMILES for 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5ccc6ccccn6c5=O)CC4)cc3c2C(C)C)cc(C)n1.

What is the InChIKey of 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one?

The InChIKey is LYZZHPQWJWSIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O2/c1-20(2)30-28-19-24(8-11-29(28)35-31(30)25-17-21(3)34-22(4)18-25)23-12-15-36(16-13-23)32(38)27-10-9-26-7-5-6-14-37(26)33(27)39/h5-11,14,17-20,23,35H,12-13,15-16H2,1-4H3.

What are the key properties of 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one?

3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one has a molecular weight of 518.66 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one is sourced from PubChem (CID 134330175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).