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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-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
SMILESCOc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)cc2cc(F)c(C)nc12.NC=O
InChIInChI=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)
InChIKeyALYFBGNXRHGRAY-UHFFFAOYSA-N
MW602.56 g/mol
LogP5.57
Rot. Bonds6
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).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 156872800 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.