7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C23H23FN4O3 — CID 15288443

About 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 15288443) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 15288443
• Molecular Formula: C23H23FN4O3
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.18
• IUPAC Name: 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: NCc1cccnc1C1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1
• InChI: InChI=1S/C23H23FN4O3/c24-18-8-16-19(28(15-3-4-15)12-17(22(16)29)23(30)31)9-20(18)27-7-5-14(11-27)21-13(10-25)2-1-6-26-21/h1-2,6,8-9,12,14-15H,3-5,7,10-11,25H2,(H,30,31)
• InChIKey: WCRIWEBKVWDGIL-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 101.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 15288443) is 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is NCc1cccnc1C1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1.

What is the InChIKey of 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The InChIKey is WCRIWEBKVWDGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-18-8-16-19(28(15-3-4-15)12-17(22(16)29)23(30)31)9-20(18)27-7-5-14(11-27)21-13(10-25)2-1-6-26-21/h1-2,6,8-9,12,14-15H,3-5,7,10-11,25H2,(H,30,31).

What are the key properties of 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 422.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 15288443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).