7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

C19H23F2N3O3 — CID 10429791

About 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 10429791) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 10429791
• Molecular Formula: C19H23F2N3O3
• Molecular Weight: 379.41 g/mol
• Exact Mass: 379.17
• IUPAC Name: 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: CC[C@H](N)C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2F)C1
• InChI: InChI=1S/C19H23F2N3O3/c1-3-14(22)10-5-6-24(8-10)17-13(20)7-11-16(15(17)21)23(4-2)9-12(18(11)25)19(26)27/h7,9-10,14H,3-6,8,22H2,1-2H3,(H,26,27)/t10?,14-/m0/s1
• InChIKey: HCSWKDCLWUQXLR-SBNLOKMTSA-N
• XLogP: 2.56
• TPSA: 88.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.41
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (CID 10429791) is 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is CC[C@H](N)C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2F)C1.

What is the InChIKey of 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?

The InChIKey is HCSWKDCLWUQXLR-SBNLOKMTSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-3-14(22)10-5-6-24(8-10)17-13(20)7-11-16(15(17)21)23(4-2)9-12(18(11)25)19(26)27/h7,9-10,14H,3-6,8,22H2,1-2H3,(H,26,27)/t10?,14-/m0/s1.

What are the key properties of 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?

7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 379.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10429791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).