1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide

C29H25F2N5O6 — CID 154662515

About 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide

1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 154662515) has the molecular formula C29H25F2N5O6 and a molecular weight of 577.54 g/mol. Its IUPAC name is 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 154662515
• Molecular Formula: C29H25F2N5O6
• Molecular Weight: 577.54 g/mol
• Exact Mass: 577.18
• IUPAC Name: 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide
• SMILES: CNC(=O)c1cc2c(Oc3ncc(NC(=O)C4(C(=O)N(CO)c5ccc(F)cc5)CC4)cc3F)ccnc2cc1OC
• InChI: InChI=1S/C29H25F2N5O6/c1-32-25(38)20-12-19-22(13-24(20)41-2)33-10-7-23(19)42-26-21(31)11-17(14-34-26)35-27(39)29(8-9-29)28(40)36(15-37)18-5-3-16(30)4-6-18/h3-7,10-14,37H,8-9,15H2,1-2H3,(H,32,38)(H,35,39)
• InChIKey: USKCLDMXLOTAKC-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 142.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.54
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide (CID 154662515) is 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide is CNC(=O)c1cc2c(Oc3ncc(NC(=O)C4(C(=O)N(CO)c5ccc(F)cc5)CC4)cc3F)ccnc2cc1OC.

What is the InChIKey of 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is USKCLDMXLOTAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N5O6/c1-32-25(38)20-12-19-22(13-24(20)41-2)33-10-7-23(19)42-26-21(31)11-17(14-34-26)35-27(39)29(8-9-29)28(40)36(15-37)18-5-3-16(30)4-6-18/h3-7,10-14,37H,8-9,15H2,1-2H3,(H,32,38)(H,35,39).

What are the key properties of 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide?

1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 577.54 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[5-fluoro-6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)-1-N'-(hydroxymethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 154662515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).