5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

C21H25FN4O5 — CID 139788186

About 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 139788186) has the molecular formula C21H25FN4O5 and a molecular weight of 432.45 g/mol. Its IUPAC name is 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 139788186
• Molecular Formula: C21H25FN4O5
• Molecular Weight: 432.45 g/mol
• Exact Mass: 432.18
• IUPAC Name: 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
• SMILES: COc1c(N2C[C@@H](N)[C@@]3(CCCO3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12
• InChI: InChI=1S/C21H25FN4O5/c1-30-19-16-13(18(27)11(20(28)29)7-26(16)10-3-4-10)15(24)14(22)17(19)25-8-12(23)21(9-25)5-2-6-31-21/h7,10,12H,2-6,8-9,23-24H2,1H3,(H,28,29)/t12-,21-/m1/s1
• InChIKey: ZKLKIPSYXMMUIV-XUSGNXJCSA-N
• XLogP: 1.46
• TPSA: 133.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.45
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 139788186) is 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is COc1c(N2C[C@@H](N)[C@@]3(CCCO3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12.

What is the InChIKey of 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The InChIKey is ZKLKIPSYXMMUIV-XUSGNXJCSA-N. The full InChI is InChI=1S/C21H25FN4O5/c1-30-19-16-13(18(27)11(20(28)29)7-26(16)10-3-4-10)15(24)14(22)17(19)25-8-12(23)21(9-25)5-2-6-31-21/h7,10,12H,2-6,8-9,23-24H2,1H3,(H,28,29)/t12-,21-/m1/s1.

What are the key properties of 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?

5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 432.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-7-[(5R,9R)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139788186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).