ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate

C25H32FN3O5 — CID 10528474

About ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate

ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate (PubChem CID 10528474) has the molecular formula C25H32FN3O5 and a molecular weight of 473.55 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate
• PubChem CID: 10528474
• Molecular Formula: C25H32FN3O5
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.23
• IUPAC Name: ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate
• SMILES: CCOC(=O)c1cc(C2CC2)c2cc(N3CCC(NC(=O)OC(C)(C)C)C3)c(F)c(C)n2c1=O
• InChI: InChI=1S/C25H32FN3O5/c1-6-33-23(31)18-11-17(15-7-8-15)19-12-20(21(26)14(2)29(19)22(18)30)28-10-9-16(13-28)27-24(32)34-25(3,4)5/h11-12,15-16H,6-10,13H2,1-5H3,(H,27,32)
• InChIKey: OWRQGULSUCJBEH-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate?

The IUPAC name of ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate (CID 10528474) is ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate.

What is the SMILES notation for ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate?

The canonical SMILES for ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1cc(C2CC2)c2cc(N3CCC(NC(=O)OC(C)(C)C)C3)c(F)c(C)n2c1=O.

What is the InChIKey of ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate?

The InChIKey is OWRQGULSUCJBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O5/c1-6-33-23(31)18-11-17(15-7-8-15)19-12-20(21(26)14(2)29(19)22(18)30)28-10-9-16(13-28)27-24(32)34-25(3,4)5/h11-12,15-16H,6-10,13H2,1-5H3,(H,27,32).

What are the key properties of ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate?

ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate has a molecular weight of 473.55 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-cyclopropyl-7-fluoro-6-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 10528474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).