7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid

C21H25F2N3O5 — CID 143715221

About 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid

7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 143715221) has the molecular formula C21H25F2N3O5 and a molecular weight of 437.44 g/mol. Its IUPAC name is 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 143715221
• Molecular Formula: C21H25F2N3O5
• Molecular Weight: 437.44 g/mol
• Exact Mass: 437.18
• IUPAC Name: 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
• SMILES: COCCC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4F)c3c2OC)CC1N
• InChI: InChI=1S/C21H25F2N3O5/c1-30-4-3-10-7-25(9-15(10)24)18-14(23)5-11-17(20(18)31-2)26(16-6-13(16)22)8-12(19(11)27)21(28)29/h5,8,10,13,15-16H,3-4,6-7,9,24H2,1-2H3,(H,28,29)
• InChIKey: BPRBMFBGCYSMBY-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 107.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.44
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 143715221) is 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid is COCCC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4F)c3c2OC)CC1N.

What is the InChIKey of 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The InChIKey is BPRBMFBGCYSMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O5/c1-30-4-3-10-7-25(9-15(10)24)18-14(23)5-11-17(20(18)31-2)26(16-6-13(16)22)8-12(19(11)27)21(28)29/h5,8,10,13,15-16H,3-4,6-7,9,24H2,1-2H3,(H,28,29).

What are the key properties of 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?

7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 437.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-amino-4-(2-methoxyethyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 143715221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).