2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide

C31H32N4O2 — CID 46091052

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide (PubChem CID 46091052) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
• PubChem CID: 46091052
• Molecular Formula: C31H32N4O2
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.25
• IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
• SMILES: COc1ccc(N2CCN(c3cc(C(=O)NC4CCCc5ccccc54)c4ccccc4n3)CC2)cc1
• InChI: InChI=1S/C31H32N4O2/c1-37-24-15-13-23(14-16-24)34-17-19-35(20-18-34)30-21-27(26-10-4-5-11-29(26)32-30)31(36)33-28-12-6-8-22-7-2-3-9-25(22)28/h2-5,7,9-11,13-16,21,28H,6,8,12,17-20H2,1H3,(H,33,36)
• InChIKey: NHANUCBPXLONAE-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?

The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide (CID 46091052) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide.

What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?

The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide is COc1ccc(N2CCN(c3cc(C(=O)NC4CCCc5ccccc54)c4ccccc4n3)CC2)cc1.

What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?

The InChIKey is NHANUCBPXLONAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c1-37-24-15-13-23(14-16-24)34-17-19-35(20-18-34)30-21-27(26-10-4-5-11-29(26)32-30)31(36)33-28-12-6-8-22-7-2-3-9-25(22)28/h2-5,7,9-11,13-16,21,28H,6,8,12,17-20H2,1H3,(H,33,36).

What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46091052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).