7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C20H19FN4O4 — CID 11281958

About 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 11281958) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 11281958
• Molecular Formula: C20H19FN4O4
• Molecular Weight: 398.39 g/mol
• Exact Mass: 398.14
• IUPAC Name: 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: C[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)C[C@H]1N
• InChI: InChI=1S/C20H19FN4O4/c1-10-7-24(9-16(10)22)19-15(21)6-13-17(27)14(20(28)29)8-25(18(13)23-19)11-2-4-12(26)5-3-11/h2-6,8,10,16,26H,7,9,22H2,1H3,(H,28,29)/t10-,16+/m0/s1
• InChIKey: ADBWZRQZSQYKEM-MGPLVRAMSA-N
• XLogP: 1.71
• TPSA: 121.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.39
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 11281958) is 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is C[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)C[C@H]1N.

What is the InChIKey of 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is ADBWZRQZSQYKEM-MGPLVRAMSA-N. The full InChI is InChI=1S/C20H19FN4O4/c1-10-7-24(9-16(10)22)19-15(21)6-13-17(27)14(20(28)29)8-25(18(13)23-19)11-2-4-12(26)5-3-11/h2-6,8,10,16,26H,7,9,22H2,1H3,(H,28,29)/t10-,16+/m0/s1.

What are the key properties of 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 398.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 11281958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).