7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid

C20H19F2N3O3 — CID 67872977

About 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid

7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 67872977) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 67872977
• Molecular Formula: C20H19F2N3O3
• Molecular Weight: 387.39 g/mol
• Exact Mass: 387.14
• IUPAC Name: 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: NC1CCC2=C1CN(c1cc(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2
• InChI: InChI=1S/C20H19F2N3O3/c21-13-5-15(24-6-9-1-4-14(23)11(9)7-24)17(22)18-16(13)19(26)12(20(27)28)8-25(18)10-2-3-10/h5,8,10,14H,1-4,6-7,23H2,(H,27,28)
• InChIKey: RBDNXQHGFLFQPN-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 88.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.39
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid (CID 67872977) is 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid is NC1CCC2=C1CN(c1cc(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2.

What is the InChIKey of 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid?

The InChIKey is RBDNXQHGFLFQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c21-13-5-15(24-6-9-1-4-14(23)11(9)7-24)17(22)18-16(13)19(26)12(20(27)28)8-25(18)10-2-3-10/h5,8,10,14H,1-4,6-7,23H2,(H,27,28).

What are the key properties of 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid?

7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 387.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-amino-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-5,8-difluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 67872977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).