1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide

C28H23ClFN3O4 — CID 20748498

About 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide

1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide (PubChem CID 20748498) has the molecular formula C28H23ClFN3O4 and a molecular weight of 519.96 g/mol. Its IUPAC name is 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
• PubChem CID: 20748498
• Molecular Formula: C28H23ClFN3O4
• Molecular Weight: 519.96 g/mol
• Exact Mass: 519.14
• IUPAC Name: 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
• SMILES: NC(=O)C1(Cc2ccc(OCc3cc(-c4ccc(Cl)cc4)nc4ccccc34)c(F)c2)CC1C(=O)NO
• InChI: InChI=1S/C28H23ClFN3O4/c29-19-8-6-17(7-9-19)24-12-18(20-3-1-2-4-23(20)32-24)15-37-25-10-5-16(11-22(25)30)13-28(27(31)35)14-21(28)26(34)33-36/h1-12,21,36H,13-15H2,(H2,31,35)(H,33,34)
• InChIKey: VYLBVKGQBPUSLH-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 114.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.96
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?

The IUPAC name of 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide (CID 20748498) is 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide.

What is the SMILES notation for 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?

The canonical SMILES for 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide is NC(=O)C1(Cc2ccc(OCc3cc(-c4ccc(Cl)cc4)nc4ccccc34)c(F)c2)CC1C(=O)NO.

What is the InChIKey of 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?

The InChIKey is VYLBVKGQBPUSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN3O4/c29-19-8-6-17(7-9-19)24-12-18(20-3-1-2-4-23(20)32-24)15-37-25-10-5-16(11-22(25)30)13-28(27(31)35)14-21(28)26(34)33-36/h1-12,21,36H,13-15H2,(H2,31,35)(H,33,34).

What are the key properties of 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?

1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide has a molecular weight of 519.96 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 20748498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).