7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C21H26FN3O3 — CID 139625060

About 7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 139625060) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 139625060
• Molecular Formula: C21H26FN3O3
• Molecular Weight: 387.46 g/mol
• Exact Mass: 387.20
• IUPAC Name: 7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: CCC1(CC)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N
• InChI: InChI=1S/C21H26FN3O3/c1-3-21(4-2)11-24(10-18(21)23)17-8-16-13(7-15(17)22)19(26)14(20(27)28)9-25(16)12-5-6-12/h7-9,12,18H,3-6,10-11,23H2,1-2H3,(H,27,28)/t18-/m0/s1
• InChIKey: GBKZUAQZIXQRMH-SFHVURJKSA-N
• XLogP: 3.13
• TPSA: 88.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.46
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 139625060) is 7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

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

The canonical SMILES for 7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is CCC1(CC)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N.

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

The InChIKey is GBKZUAQZIXQRMH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-3-21(4-2)11-24(10-18(21)23)17-8-16-13(7-15(17)22)19(26)14(20(27)28)9-25(16)12-5-6-12/h7-9,12,18H,3-6,10-11,23H2,1-2H3,(H,27,28)/t18-/m0/s1.

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

7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 387.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4R)-4-amino-3,3-diethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139625060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).