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

C30H28FN3O6 — CID 167678105

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

(3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167678105) has the molecular formula C30H28FN3O6 and a molecular weight of 545.57 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167678105
• Molecular Formula: C30H28FN3O6
• Molecular Weight: 545.57 g/mol
• Exact Mass: 545.20
• IUPAC Name: (3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-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(=O)NO)cc2cccnc12
• InChI: InChI=1S/C30H28FN3O6/c1-29(28(36)34-38)16-40-27-21(29)15-24(33-26(27)17-6-8-20(31)9-7-17)30(2,37)11-10-22(35)19-13-18-5-4-12-32-25(18)23(14-19)39-3/h4-9,12-15,37-38H,10-11,16H2,1-3H3,(H,34,36)/t29-,30-/m0/s1
• InChIKey: VCSRDZGKDCNPKN-KYJUHHDHSA-N
• XLogP: 4.47
• TPSA: 130.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.57
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167678105) is (3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for (3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-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(=O)NO)cc2cccnc12.

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

The InChIKey is VCSRDZGKDCNPKN-KYJUHHDHSA-N. The full InChI is InChI=1S/C30H28FN3O6/c1-29(28(36)34-38)16-40-27-21(29)15-24(33-26(27)17-6-8-20(31)9-7-17)30(2,37)11-10-22(35)19-13-18-5-4-12-32-25(18)23(14-19)39-3/h4-9,12-15,37-38H,10-11,16H2,1-3H3,(H,34,36)/t29-,30-/m0/s1.

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

(3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 545.57 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167678105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).