5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C28H20ClF5N4O4 — CID 156872542

About 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 156872542) has the molecular formula C28H20ClF5N4O4 and a molecular weight of 606.94 g/mol. Its IUPAC name is 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 156872542
• Molecular Formula: C28H20ClF5N4O4
• Molecular Weight: 606.94 g/mol
• Exact Mass: 606.11
• IUPAC Name: 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: CC1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc(F)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C28H20ClF5N4O4/c1-26(25(35)40)12-42-23-18(26)9-20(38-22(23)13-2-4-17(30)5-3-13)27(41,28(32,33)34)11-37-24(39)15-6-14-7-16(29)10-36-21(14)19(31)8-15/h2-10,41H,11-12H2,1H3,(H2,35,40)(H,37,39)
• InChIKey: IDFSFVITJQRKML-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 127.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.94
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 156872542) is 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is CC1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc(F)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is IDFSFVITJQRKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClF5N4O4/c1-26(25(35)40)12-42-23-18(26)9-20(38-22(23)13-2-4-17(30)5-3-13)27(41,28(32,33)34)11-37-24(39)15-6-14-7-16(29)10-36-21(14)19(31)8-15/h2-10,41H,11-12H2,1H3,(H2,35,40)(H,37,39).

What are the key properties of 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 606.94 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 156872542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).