N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide

C29H43N5O — CID 19511513

About N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide

N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19511513) has the molecular formula C29H43N5O and a molecular weight of 477.70 g/mol. Its IUPAC name is N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
• PubChem CID: 19511513
• Molecular Formula: C29H43N5O
• Molecular Weight: 477.70 g/mol
• Exact Mass: 477.35
• IUPAC Name: N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
• SMILES: CCCCCN(CCCCC)CC(C)NC(=O)c1cc(-c2cn(CC)nc2C)nc2ccccc12
• InChI: InChI=1S/C29H43N5O/c1-6-9-13-17-33(18-14-10-7-2)20-22(4)30-29(35)25-19-28(26-21-34(8-3)32-23(26)5)31-27-16-12-11-15-24(25)27/h11-12,15-16,19,21-22H,6-10,13-14,17-18,20H2,1-5H3,(H,30,35)
• InChIKey: IUAIEYXAHNCWKI-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.70
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?

The IUPAC name of N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19511513) is N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide.

What is the SMILES notation for N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?

The canonical SMILES for N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide is CCCCCN(CCCCC)CC(C)NC(=O)c1cc(-c2cn(CC)nc2C)nc2ccccc12.

What is the InChIKey of N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?

The InChIKey is IUAIEYXAHNCWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N5O/c1-6-9-13-17-33(18-14-10-7-2)20-22(4)30-29(35)25-19-28(26-21-34(8-3)32-23(26)5)31-27-16-12-11-15-24(25)27/h11-12,15-16,19,21-22H,6-10,13-14,17-18,20H2,1-5H3,(H,30,35).

What are the key properties of N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?

N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 477.70 g/mol, XLogP of 6.23, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19511513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).