1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid

C19H20FN3O4 — CID 67903157

About 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 67903157) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 67903157
• Molecular Formula: C19H20FN3O4
• Molecular Weight: 373.38 g/mol
• Exact Mass: 373.14
• IUPAC Name: 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid
• SMILES: O=C(O)c1cn(C2CC2)c2cc(N3CC4COCC(C3)N4)c(F)cc2c1=O
• InChI: InChI=1S/C19H20FN3O4/c20-15-3-13-16(23(12-1-2-12)7-14(18(13)24)19(25)26)4-17(15)22-5-10-8-27-9-11(6-22)21-10/h3-4,7,10-12,21H,1-2,5-6,8-9H2,(H,25,26)
• InChIKey: REWQJEZZNRCYOI-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 83.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.38
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid (CID 67903157) is 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2cc(N3CC4COCC(C3)N4)c(F)cc2c1=O.

What is the InChIKey of 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid?

The InChIKey is REWQJEZZNRCYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-15-3-13-16(23(12-1-2-12)7-14(18(13)24)19(25)26)4-17(15)22-5-10-8-27-9-11(6-22)21-10/h3-4,7,10-12,21H,1-2,5-6,8-9H2,(H,25,26).

What are the key properties of 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid?

1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 373.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 67903157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).