7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid

C20H24FN3O3 — CID 118864696

About 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid

7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid (PubChem CID 118864696) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
• PubChem CID: 118864696
• Molecular Formula: C20H24FN3O3
• Molecular Weight: 373.43 g/mol
• Exact Mass: 373.18
• IUPAC Name: 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
• SMILES: Cc1c(N2CCC([C@H](C)N)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12
• InChI: InChI=1S/C20H24FN3O3/c1-10-17-13(7-15(20(26)27)19(25)24(17)14-3-4-14)8-16(21)18(10)23-6-5-12(9-23)11(2)22/h7-8,11-12,14H,3-6,9,22H2,1-2H3,(H,26,27)/t11-,12?/m0/s1
• InChIKey: WDEFFRJHKJGSLD-PXYINDEMSA-N
• XLogP: 2.66
• TPSA: 88.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.43
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid (CID 118864696) is 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid is Cc1c(N2CCC([C@H](C)N)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12.

What is the InChIKey of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?

The InChIKey is WDEFFRJHKJGSLD-PXYINDEMSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-10-17-13(7-15(20(26)27)19(25)24(17)14-3-4-14)8-16(21)18(10)23-6-5-12(9-23)11(2)22/h7-8,11-12,14H,3-6,9,22H2,1-2H3,(H,26,27)/t11-,12?/m0/s1.

What are the key properties of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?

7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 118864696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).