6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C23H23ClFN5O3 — CID 171572846

About 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 171572846) has the molecular formula C23H23ClFN5O3 and a molecular weight of 471.92 g/mol. Its IUPAC name is 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 171572846
• Molecular Formula: C23H23ClFN5O3
• Molecular Weight: 471.92 g/mol
• Exact Mass: 471.15
• IUPAC Name: 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)COC5)CC2)c(Cl)n1
• InChI: InChI=1S/C23H23ClFN5O3/c1-26-23(32)17-2-3-19(21(24)27-17)30-6-4-29(5-7-30)10-13-8-16(25)20-14-11-33-12-15(14)22(31)28-18(20)9-13/h2-3,8-9H,4-7,10-12H2,1H3,(H,26,32)(H,28,31)
• InChIKey: UAJXWXMPDPILRM-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.92
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 171572846) is 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)COC5)CC2)c(Cl)n1.

What is the InChIKey of 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is UAJXWXMPDPILRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O3/c1-26-23(32)17-2-3-19(21(24)27-17)30-6-4-29(5-7-30)10-13-8-16(25)20-14-11-33-12-15(14)22(31)28-18(20)9-13/h2-3,8-9H,4-7,10-12H2,1H3,(H,26,32)(H,28,31).

What are the key properties of 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?

6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 471.92 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171572846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).