(3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C36H39FN4O7 — CID 167684902

About (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167684902) has the molecular formula C36H39FN4O7 and a molecular weight of 658.73 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167684902
• Molecular Formula: C36H39FN4O7
• Molecular Weight: 658.73 g/mol
• Exact Mass: 658.28
• IUPAC Name: (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: Cc1cnc2c(OCC(N)=O)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(=O)NCC(C)(C)O)cc2c1
• InChI: InChI=1S/C36H39FN4O7/c1-20-12-23-13-22(14-27(30(23)39-16-20)47-17-29(38)43)26(42)10-11-36(5,46)28-15-25-32(31(41-28)21-6-8-24(37)9-7-21)48-19-35(25,4)33(44)40-18-34(2,3)45/h6-9,12-16,45-46H,10-11,17-19H2,1-5H3,(H2,38,43)(H,40,44)/t35-,36-/m0/s1
• InChIKey: WBPGGWCOTPNEKX-ZPGRZCPFSA-N
• XLogP: 4.02
• TPSA: 173.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.73
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167684902) is (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is Cc1cnc2c(OCC(N)=O)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(=O)NCC(C)(C)O)cc2c1.

What is the InChIKey of (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is WBPGGWCOTPNEKX-ZPGRZCPFSA-N. The full InChI is InChI=1S/C36H39FN4O7/c1-20-12-23-13-22(14-27(30(23)39-16-20)47-17-29(38)43)26(42)10-11-36(5,46)28-15-25-32(31(41-28)21-6-8-24(37)9-7-21)48-19-35(25,4)33(44)40-18-34(2,3)45/h6-9,12-16,45-46H,10-11,17-19H2,1-5H3,(H2,38,43)(H,40,44)/t35-,36-/m0/s1.

What are the key properties of (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 658.73 g/mol, XLogP of 4.02, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167684902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).