5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

C20H25FN4O3 — CID 10524326

About 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 10524326) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 10524326
• Molecular Formula: C20H25FN4O3
• Molecular Weight: 388.44 g/mol
• Exact Mass: 388.19
• IUPAC Name: 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
• SMILES: Cc1c(N2C[C@H](N)C(C)(C)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12
• InChI: InChI=1S/C20H25FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-4-5-10)15(23)14(21)17(9)24-7-12(22)20(2,3)8-24/h6,10,12H,4-5,7-8,22-23H2,1-3H3,(H,27,28)/t12-/m0/s1
• InChIKey: GXQXMTHEJFBAEC-LBPRGKRZSA-N
• XLogP: 2.24
• TPSA: 114.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.44
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 10524326) is 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid is Cc1c(N2C[C@H](N)C(C)(C)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12.

What is the InChIKey of 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?

The InChIKey is GXQXMTHEJFBAEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-4-5-10)15(23)14(21)17(9)24-7-12(22)20(2,3)8-24/h6,10,12H,4-5,7-8,22-23H2,1-3H3,(H,27,28)/t12-/m0/s1.

What are the key properties of 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?

5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 388.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10524326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).