7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide

C26H28FN5O4 — CID 42653559

About 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide

7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide (PubChem CID 42653559) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide
• PubChem CID: 42653559
• Molecular Formula: C26H28FN5O4
• Molecular Weight: 493.54 g/mol
• Exact Mass: 493.21
• IUPAC Name: 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide
• SMILES: COc1c(N2CCN(C(C)=O)C(C)C2)c(F)cc2c(=O)c(C(=O)Nc3cccnc3)cn(C3CC3)c12
• InChI: InChI=1S/C26H28FN5O4/c1-15-13-30(9-10-31(15)16(2)33)23-21(27)11-19-22(25(23)36-3)32(18-6-7-18)14-20(24(19)34)26(35)29-17-5-4-8-28-12-17/h4-5,8,11-12,14-15,18H,6-7,9-10,13H2,1-3H3,(H,29,35)
• InChIKey: IBBQNNRUZJZZOH-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.54
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide?

The IUPAC name of 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide (CID 42653559) is 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide.

What is the SMILES notation for 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide?

The canonical SMILES for 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide is COc1c(N2CCN(C(C)=O)C(C)C2)c(F)cc2c(=O)c(C(=O)Nc3cccnc3)cn(C3CC3)c12.

What is the InChIKey of 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide?

The InChIKey is IBBQNNRUZJZZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-15-13-30(9-10-31(15)16(2)33)23-21(27)11-19-22(25(23)36-3)32(18-6-7-18)14-20(24(19)34)26(35)29-17-5-4-8-28-12-17/h4-5,8,11-12,14-15,18H,6-7,9-10,13H2,1-3H3,(H,29,35).

What are the key properties of 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide?

7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide has a molecular weight of 493.54 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 42653559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).