N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide

C30H25F6N3O3 — CID 156872961

About N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide

N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide (PubChem CID 156872961) has the molecular formula C30H25F6N3O3 and a molecular weight of 589.54 g/mol. Its IUPAC name is N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide
• PubChem CID: 156872961
• Molecular Formula: C30H25F6N3O3
• Molecular Weight: 589.54 g/mol
• Exact Mass: 589.18
• IUPAC Name: N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide
• SMILES: COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C)cnc12
• InChI: InChI=1S/C30H25F6N3O3/c1-16-7-18-8-19(9-24(41-2)25(18)37-11-16)28(40)38-12-22(30(34,35)36)23-10-21-27(42-15-29(21,13-31)14-32)26(39-23)17-3-5-20(33)6-4-17/h3-11,22H,12-15H2,1-2H3,(H,38,40)
• InChIKey: OQBWKQDENAEUSC-UHFFFAOYSA-N
• XLogP: 6.40
• 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	589.54
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide?

The IUPAC name of N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide (CID 156872961) is N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide.

What is the SMILES notation for N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide?

The canonical SMILES for N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide is COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C)cnc12.

What is the InChIKey of N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide?

The InChIKey is OQBWKQDENAEUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F6N3O3/c1-16-7-18-8-19(9-24(41-2)25(18)37-11-16)28(40)38-12-22(30(34,35)36)23-10-21-27(42-15-29(21,13-31)14-32)26(39-23)17-3-5-20(33)6-4-17/h3-11,22H,12-15H2,1-2H3,(H,38,40).

What are the key properties of N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide?

N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide has a molecular weight of 589.54 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide is sourced from PubChem (CID 156872961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).