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

C30H27F5N4O4 — CID 156872800

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

3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide (PubChem CID 156872800) has the molecular formula C30H27F5N4O4 and a molecular weight of 602.56 g/mol. Its IUPAC name is 3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide.

Molecular Properties

• Compound Name: 3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide
• PubChem CID: 156872800
• Molecular Formula: C30H27F5N4O4
• Molecular Weight: 602.56 g/mol
• Exact Mass: 602.20
• IUPAC Name: 3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide
• SMILES: COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)cc2cc(F)c(C)nc12.NC=O
• InChI: InChI=1S/C29H24F5N3O3.CH3NO/c1-14-13-40-27-20(14)11-23(37-26(27)16-4-6-19(30)7-5-16)21(29(32,33)34)12-35-28(38)18-8-17-9-22(31)15(2)36-25(17)24(10-18)39-3;2-1-3/h4-11,14,21H,12-13H2,1-3H3,(H,35,38);1H,(H2,2,3)
• InChIKey: ALYFBGNXRHGRAY-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 116.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.56
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide (CID 156872800) is 3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide.

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

The canonical SMILES for 3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide is COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)cc2cc(F)c(C)nc12.NC=O.

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

The InChIKey is ALYFBGNXRHGRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F5N3O3.CH3NO/c1-14-13-40-27-20(14)11-23(37-26(27)16-4-6-19(30)7-5-16)21(29(32,33)34)12-35-28(38)18-8-17-9-22(31)15(2)36-25(17)24(10-18)39-3;2-1-3/h4-11,14,21H,12-13H2,1-3H3,(H,35,38);1H,(H2,2,3).

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

3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide has a molecular weight of 602.56 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide is sourced from PubChem (CID 156872800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).