5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide

C38H34ClN7O7 — CID 162664856

About 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide

5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide (PubChem CID 162664856) has the molecular formula C38H34ClN7O7 and a molecular weight of 736.19 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

• Compound Name: 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
• PubChem CID: 162664856
• Molecular Formula: C38H34ClN7O7
• Molecular Weight: 736.19 g/mol
• Exact Mass: 735.22
• IUPAC Name: 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCNC(=O)c4ccc5c(c4)nc(Nc4cccc(Cl)c4)c4ccncc45)c3C2=O)C(=O)N1
• InChI: InChI=1S/C38H34ClN7O7/c39-23-3-1-4-24(20-23)43-34-26-11-12-40-21-28(26)25-8-7-22(19-30(25)44-34)35(48)42-14-16-53-18-17-52-15-13-41-29-6-2-5-27-33(29)38(51)46(37(27)50)31-9-10-32(47)45-36(31)49/h1-8,11-12,19-21,31,41H,9-10,13-18H2,(H,42,48)(H,43,44)(H,45,47,49)
• InChIKey: XINDYXJSNZXEEK-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 180.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.19
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide?

The IUPAC name of 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide (CID 162664856) is 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide.

What is the SMILES notation for 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide?

The canonical SMILES for 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCNC(=O)c4ccc5c(c4)nc(Nc4cccc(Cl)c4)c4ccncc45)c3C2=O)C(=O)N1.

What is the InChIKey of 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide?

The InChIKey is XINDYXJSNZXEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34ClN7O7/c39-23-3-1-4-24(20-23)43-34-26-11-12-40-21-28(26)25-8-7-22(19-30(25)44-34)35(48)42-14-16-53-18-17-52-15-13-41-29-6-2-5-27-33(29)38(51)46(37(27)50)31-9-10-32(47)45-36(31)49/h1-8,11-12,19-21,31,41H,9-10,13-18H2,(H,42,48)(H,43,44)(H,45,47,49).

What are the key properties of 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide?

5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide has a molecular weight of 736.19 g/mol, XLogP of 4.46, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide is sourced from PubChem (CID 162664856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).