propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate

C29H28N4O3 — CID 126518188

About propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate

propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate (PubChem CID 126518188) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate.

Molecular Properties

• Compound Name: propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate
• PubChem CID: 126518188
• Molecular Formula: C29H28N4O3
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.22
• IUPAC Name: propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate
• SMILES: CCCOC(=O)NCCNc1ccc(-c2cnc3c(-c4ccc(C#N)cc4)cccc3c2OC)cc1
• InChI: InChI=1S/C29H28N4O3/c1-3-17-36-29(34)32-16-15-31-23-13-11-22(12-14-23)26-19-33-27-24(5-4-6-25(27)28(26)35-2)21-9-7-20(18-30)8-10-21/h4-14,19,31H,3,15-17H2,1-2H3,(H,32,34)
• InChIKey: CAMQNCZPKCJTEF-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 96.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate?

The IUPAC name of propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate (CID 126518188) is propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate.

What is the SMILES notation for propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate?

The canonical SMILES for propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate is CCCOC(=O)NCCNc1ccc(-c2cnc3c(-c4ccc(C#N)cc4)cccc3c2OC)cc1.

What is the InChIKey of propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate?

The InChIKey is CAMQNCZPKCJTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-3-17-36-29(34)32-16-15-31-23-13-11-22(12-14-23)26-19-33-27-24(5-4-6-25(27)28(26)35-2)21-9-7-20(18-30)8-10-21/h4-14,19,31H,3,15-17H2,1-2H3,(H,32,34).

What are the key properties of propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate?

propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate has a molecular weight of 480.57 g/mol, XLogP of 6.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate is sourced from PubChem (CID 126518188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).