methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate

C29H21Cl2N3O5 — CID 167007026

About methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate

methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate (PubChem CID 167007026) has the molecular formula C29H21Cl2N3O5 and a molecular weight of 562.41 g/mol. Its IUPAC name is methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate
• PubChem CID: 167007026
• Molecular Formula: C29H21Cl2N3O5
• Molecular Weight: 562.41 g/mol
• Exact Mass: 561.09
• IUPAC Name: methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate
• SMILES: COC(=O)c1ccc(Oc2ccc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cnc3c2)nc1
• InChI: InChI=1S/C29H21Cl2N3O5/c1-36-29(35)18-8-10-25(33-13-18)38-19-9-7-17-11-20(14-32-24(17)12-19)37-15-21-27(34-39-28(21)16-5-6-16)26-22(30)3-2-4-23(26)31/h2-4,7-14,16H,5-6,15H2,1H3
• InChIKey: WSZGAZQCDIXIEL-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 96.57 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.41
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate?

The IUPAC name of methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate (CID 167007026) is methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate.

What is the SMILES notation for methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate?

The canonical SMILES for methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate is COC(=O)c1ccc(Oc2ccc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cnc3c2)nc1.

What is the InChIKey of methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate?

The InChIKey is WSZGAZQCDIXIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21Cl2N3O5/c1-36-29(35)18-8-10-25(33-13-18)38-19-9-7-17-11-20(14-32-24(17)12-19)37-15-21-27(34-39-28(21)16-5-6-16)26-22(30)3-2-4-23(26)31/h2-4,7-14,16H,5-6,15H2,1H3.

What are the key properties of methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate?

methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate has a molecular weight of 562.41 g/mol, XLogP of 7.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]quinolin-7-yl]oxypyridine-3-carboxylate is sourced from PubChem (CID 167007026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).