7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C16H18FN3O3 — CID 10358569

About 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 10358569) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 10358569
• Molecular Formula: C16H18FN3O3
• Molecular Weight: 319.34 g/mol
• Exact Mass: 319.13
• IUPAC Name: 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](N)[C@H]3C)cc21
• InChI: InChI=1S/C16H18FN3O3/c1-3-19-6-10(16(22)23)15(21)9-4-11(17)14(5-13(9)19)20-7-12(18)8(20)2/h4-6,8,12H,3,7,18H2,1-2H3,(H,22,23)/t8-,12+/m1/s1
• InChIKey: AZEFBYIZWQIOGR-PELKAZGASA-N
• XLogP: 1.39
• TPSA: 88.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.34
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 10358569) is 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](N)[C@H]3C)cc21.

What is the InChIKey of 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The InChIKey is AZEFBYIZWQIOGR-PELKAZGASA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-3-19-6-10(16(22)23)15(21)9-4-11(17)14(5-13(9)19)20-7-12(18)8(20)2/h4-6,8,12H,3,7,18H2,1-2H3,(H,22,23)/t8-,12+/m1/s1.

What are the key properties of 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10358569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).