4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde

C₅₁H₄₁Cl₃F₅N₉O₁₀ — CID 159035346

About 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde

4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde (PubChem CID 159035346) has the molecular formula C₅₁H₄₁Cl₃F₅N₉O₁₀ and a molecular weight of 1141.29 g/mol. Its IUPAC name is 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159035346
• Molecular Formula: C₅₁H₄₁Cl₃F₅N₉O₁₀
• Molecular Weight: 1141.29 g/mol
• Exact Mass: 1139.20
• IUPAC Name: 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde
• SMILES: COc1cc2nccc(Cl)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(N)cc3F)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(NC(=O)NC4CC4)cc3F)c2cc1C(N)=O.O=CC(F)(F)F
• InChI: InChI=1S/C21H18ClFN4O4.C17H13ClFN3O3.C11H9ClN2O2.C2HF3O/c1-30-18-9-15-11(6-12(18)20(24)28)17(4-5-25-15)31-19-7-13(22)16(8-14(19)23)27-21(29)26-10-2-3-10;1-24-15-7-13-8(4-9(15)17(21)23)14(2-3-22-13)25-16-5-10(18)12(20)6-11(16)19;1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9;3-2(4,5)1-6/h4-10H,2-3H2,1H3,(H2,24,28)(H2,26,27,29);2-7H,20H2,1H3,(H2,21,23);2-5H,1H3,(H2,13,15);1H
• InChIKey: JVJSQCMKQUVKBY-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 298.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1141.29
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde (CID 159035346) is 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde is COc1cc2nccc(Cl)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(N)cc3F)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(NC(=O)NC4CC4)cc3F)c2cc1C(N)=O.O=CC(F)(F)F.

What is the InChIKey of 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde?

The InChIKey is JVJSQCMKQUVKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O4.C17H13ClFN3O3.C11H9ClN2O2.C2HF3O/c1-30-18-9-15-11(6-12(18)20(24)28)17(4-5-25-15)31-19-7-13(22)16(8-14(19)23)27-21(29)26-10-2-3-10;1-24-15-7-13-8(4-9(15)17(21)23)14(2-3-22-13)25-16-5-10(18)12(20)6-11(16)19;1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9;3-2(4,5)1-6/h4-10H,2-3H2,1H3,(H2,24,28)(H2,26,27,29);2-7H,20H2,1H3,(H2,21,23);2-5H,1H3,(H2,13,15);1H.

What are the key properties of 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde?

4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 1141.29 g/mol, XLogP of 10.46, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159035346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159035346 — identifiers, structure, computed properties (public domain)

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