[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

C30H23ClN2O4 — CID 4658233

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (PubChem CID 4658233) has the molecular formula C30H23ClN2O4 and a molecular weight of 510.98 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.

Molecular Properties

• Compound Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
• PubChem CID: 4658233
• Molecular Formula: C30H23ClN2O4
• Molecular Weight: 510.98 g/mol
• Exact Mass: 510.13
• IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
• SMILES: COc1ccc2cc(-c3cc(C(=O)OCC(=O)NCc4ccc(Cl)cc4)c4ccccc4n3)ccc2c1
• InChI: InChI=1S/C30H23ClN2O4/c1-36-24-13-10-20-14-22(9-8-21(20)15-24)28-16-26(25-4-2-3-5-27(25)33-28)30(35)37-18-29(34)32-17-19-6-11-23(31)12-7-19/h2-16H,17-18H2,1H3,(H,32,34)
• InChIKey: IKELHWLQJOBXFE-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.98
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?

The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (CID 4658233) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.

What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?

The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is COc1ccc2cc(-c3cc(C(=O)OCC(=O)NCc4ccc(Cl)cc4)c4ccccc4n3)ccc2c1.

What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?

The InChIKey is IKELHWLQJOBXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2O4/c1-36-24-13-10-20-14-22(9-8-21(20)15-24)28-16-26(25-4-2-3-5-27(25)33-28)30(35)37-18-29(34)32-17-19-6-11-23(31)12-7-19/h2-16H,17-18H2,1H3,(H,32,34).

What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate has a molecular weight of 510.98 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 4658233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).