1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

C31H30FN5O5 — CID 134360716

About 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 134360716) has the molecular formula C31H30FN5O5 and a molecular weight of 571.61 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 134360716
• Molecular Formula: C31H30FN5O5
• Molecular Weight: 571.61 g/mol
• Exact Mass: 571.22
• IUPAC Name: 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• SMILES: NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc4cc(OCCN5CCOCC5)ncc34)cc2)CC1
• InChI: InChI=1S/C31H30FN5O5/c32-21-1-3-22(4-2-21)37(30(39)31(10-11-31)29(33)38)23-5-7-24(8-6-23)42-27-9-12-34-26-19-28(35-20-25(26)27)41-18-15-36-13-16-40-17-14-36/h1-9,12,19-20H,10-11,13-18H2,(H2,33,38)
• InChIKey: IGSWYYWSBRQZOD-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 120.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.61
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (CID 134360716) is 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc4cc(OCCN5CCOCC5)ncc34)cc2)CC1.

What is the InChIKey of 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The InChIKey is IGSWYYWSBRQZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN5O5/c32-21-1-3-22(4-2-21)37(30(39)31(10-11-31)29(33)38)23-5-7-24(8-6-23)42-27-9-12-34-26-19-28(35-20-25(26)27)41-18-15-36-13-16-40-17-14-36/h1-9,12,19-20H,10-11,13-18H2,(H2,33,38).

What are the key properties of 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 571.61 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-(4-fluorophenyl)-1-N'-[4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 134360716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).