3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide

C29H22F7N3O3 — CID 169241599

About 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide

3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide (PubChem CID 169241599) has the molecular formula C29H22F7N3O3 and a molecular weight of 593.50 g/mol. Its IUPAC name is 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide
• PubChem CID: 169241599
• Molecular Formula: C29H22F7N3O3
• Molecular Weight: 593.50 g/mol
• Exact Mass: 593.15
• IUPAC Name: 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide
• SMILES: COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3CF)C(F)(F)F)cc2cc(C(F)F)cnc12
• InChI: InChI=1S/C29H22F7N3O3/c1-41-23-8-16(6-15-7-17(27(32)33)11-37-24(15)23)28(40)38-12-21(29(34,35)36)22-9-20-18(10-30)13-42-26(20)25(39-22)14-2-4-19(31)5-3-14/h2-9,11,18,21,27H,10,12-13H2,1H3,(H,38,40)
• InChIKey: WRJNPSGXNCRNRG-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.50
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide?

The IUPAC name of 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide (CID 169241599) is 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide.

What is the SMILES notation for 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide?

The canonical SMILES for 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide is COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3CF)C(F)(F)F)cc2cc(C(F)F)cnc12.

What is the InChIKey of 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide?

The InChIKey is WRJNPSGXNCRNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F7N3O3/c1-41-23-8-16(6-15-7-17(27(32)33)11-37-24(15)23)28(40)38-12-21(29(34,35)36)22-9-20-18(10-30)13-42-26(20)25(39-22)14-2-4-19(31)5-3-14/h2-9,11,18,21,27H,10,12-13H2,1H3,(H,38,40).

What are the key properties of 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide?

3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide has a molecular weight of 593.50 g/mol, XLogP of 6.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide is sourced from PubChem (CID 169241599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).