(3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C30H27F2N3O5 — CID 167620517

About (3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167620517) has the molecular formula C30H27F2N3O5 and a molecular weight of 547.56 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167620517
• Molecular Formula: C30H27F2N3O5
• Molecular Weight: 547.56 g/mol
• Exact Mass: 547.19
• IUPAC Name: (3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)cc2cc(F)cnc12
• InChI: InChI=1S/C30H27F2N3O5/c1-29(28(33)37)15-40-27-21(29)13-24(35-26(27)16-4-6-19(31)7-5-16)30(2,38)9-8-22(36)17-10-18-11-20(32)14-34-25(18)23(12-17)39-3/h4-7,10-14,38H,8-9,15H2,1-3H3,(H2,33,37)/t29-,30-/m0/s1
• InChIKey: MJIZYJAMGZTDBL-KYJUHHDHSA-N
• XLogP: 4.59
• TPSA: 124.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.56
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167620517) is (3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for (3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)cc2cc(F)cnc12.

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

The InChIKey is MJIZYJAMGZTDBL-KYJUHHDHSA-N. The full InChI is InChI=1S/C30H27F2N3O5/c1-29(28(33)37)15-40-27-21(29)13-24(35-26(27)16-4-6-19(31)7-5-16)30(2,38)9-8-22(36)17-10-18-11-20(32)14-34-25(18)23(12-17)39-3/h4-7,10-14,38H,8-9,15H2,1-3H3,(H2,33,37)/t29-,30-/m0/s1.

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

(3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 547.56 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167620517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).