ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate

C26H34FN3O5 — CID 118864581

About ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate

ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate (PubChem CID 118864581) has the molecular formula C26H34FN3O5 and a molecular weight of 487.57 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate
• PubChem CID: 118864581
• Molecular Formula: C26H34FN3O5
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.25
• IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate
• SMILES: CCOC(=O)c1cc2cc(F)c(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cc2n(C2CC2)c1=O
• InChI: InChI=1S/C26H34FN3O5/c1-6-34-24(32)19-11-17-12-20(27)22(13-21(17)30(23(19)31)18-7-8-18)29-10-9-16(14-29)15(2)28-25(33)35-26(3,4)5/h11-13,15-16,18H,6-10,14H2,1-5H3,(H,28,33)/t15-,16-/m0/s1
• InChIKey: ZYKLSGMFDYHQIF-HOTGVXAUSA-N
• XLogP: 4.39
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	4.39
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-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate?

The IUPAC name of ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate (CID 118864581) is ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate.

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

The canonical SMILES for ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate is CCOC(=O)c1cc2cc(F)c(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cc2n(C2CC2)c1=O.

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

The InChIKey is ZYKLSGMFDYHQIF-HOTGVXAUSA-N. The full InChI is InChI=1S/C26H34FN3O5/c1-6-34-24(32)19-11-17-12-20(27)22(13-21(17)30(23(19)31)18-7-8-18)29-10-9-16(14-29)15(2)28-25(33)35-26(3,4)5/h11-13,15-16,18H,6-10,14H2,1-5H3,(H,28,33)/t15-,16-/m0/s1.

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

ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate has a molecular weight of 487.57 g/mol, XLogP of 4.39, 6 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-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 118864581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).