4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide

C₁₇H₁₃ClFN₃O₃ — CID 154625444

About 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide

4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide (PubChem CID 154625444) has the molecular formula C₁₇H₁₃ClFN₃O₃ and a molecular weight of 361.76 g/mol. Its IUPAC name is 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
• PubChem CID: 154625444
• Molecular Formula: C₁₇H₁₃ClFN₃O₃
• Molecular Weight: 361.76 g/mol
• Exact Mass: 361.06
• IUPAC Name: 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
• SMILES: COc1cc2nccc(Oc3cc(F)c(N)c(Cl)c3)c2cc1C(N)=O
• InChI: InChI=1S/C17H13ClFN3O3/c1-24-15-7-13-9(6-10(15)17(21)23)14(2-3-22-13)25-8-4-11(18)16(20)12(19)5-8/h2-7H,20H2,1H3,(H2,21,23)
• InChIKey: LEBRAFAAGWPCTD-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 100.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.76
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?

The IUPAC name of 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide (CID 154625444) is 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide.

What is the SMILES notation for 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?

The canonical SMILES for 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3cc(F)c(N)c(Cl)c3)c2cc1C(N)=O.

What is the InChIKey of 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?

The InChIKey is LEBRAFAAGWPCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-24-15-7-13-9(6-10(15)17(21)23)14(2-3-22-13)25-8-4-11(18)16(20)12(19)5-8/h2-7H,20H2,1H3,(H2,21,23).

What are the key properties of 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?

4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide has a molecular weight of 361.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 154625444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154625444 — identifiers, structure, computed properties (public domain)

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