1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C28H20ClFN6O5 — CID 155674568

About 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 155674568) has the molecular formula C28H20ClFN6O5 and a molecular weight of 574.96 g/mol. Its IUPAC name is 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 155674568
• Molecular Formula: C28H20ClFN6O5
• Molecular Weight: 574.96 g/mol
• Exact Mass: 574.12
• IUPAC Name: 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• SMILES: COc1cc2nccc(Oc3ncc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3Cl)c2cc1-c1nnco1
• InChI: InChI=1S/C28H20ClFN6O5/c1-39-23-12-21-18(11-19(23)24-36-33-14-40-24)22(6-9-31-21)41-25-20(29)10-17(13-32-25)35-27(38)28(7-8-28)26(37)34-16-4-2-15(30)3-5-16/h2-6,9-14H,7-8H2,1H3,(H,34,37)(H,35,38)
• InChIKey: QTMVCPIAFRMXPY-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 141.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.96
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 155674568) is 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is COc1cc2nccc(Oc3ncc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3Cl)c2cc1-c1nnco1.

What is the InChIKey of 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is QTMVCPIAFRMXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClFN6O5/c1-39-23-12-21-18(11-19(23)24-36-33-14-40-24)22(6-9-31-21)41-25-20(29)10-17(13-32-25)35-27(38)28(7-8-28)26(37)34-16-4-2-15(30)3-5-16/h2-6,9-14H,7-8H2,1H3,(H,34,37)(H,35,38).

What are the key properties of 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 574.96 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155674568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).