ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C19H22FN3O4 — CID 70367892

About ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 70367892) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
• PubChem CID: 70367892
• Molecular Formula: C19H22FN3O4
• Molecular Weight: 375.40 g/mol
• Exact Mass: 375.16
• IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn(C2CC2)c2nc(N3CC[C@H](O)C3)c(F)c(C)c2c1=O
• InChI: InChI=1S/C19H22FN3O4/c1-3-27-19(26)13-9-23(11-4-5-11)17-14(16(13)25)10(2)15(20)18(21-17)22-7-6-12(24)8-22/h9,11-12,24H,3-8H2,1-2H3/t12-/m0/s1
• InChIKey: LXROYWQKTDWALG-LBPRGKRZSA-N
• XLogP: 1.93
• TPSA: 84.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.40
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 70367892) is ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2nc(N3CC[C@H](O)C3)c(F)c(C)c2c1=O.

What is the InChIKey of ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?

The InChIKey is LXROYWQKTDWALG-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-3-27-19(26)13-9-23(11-4-5-11)17-14(16(13)25)10(2)15(20)18(21-17)22-7-6-12(24)8-22/h9,11-12,24H,3-8H2,1-2H3/t12-/m0/s1.

What are the key properties of ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?

ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 70367892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).