6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C23H26FN5O3 — CID 163606109

IUPAC6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3C)CC(=O)C(OC)=N4)CC2)c(F)n1
InChIInChI=1S/C23H26FN5O3/c1-14-15(4-5-17-16(14)12-20(30)23(27-17)32-3)13-28-8-10-29(11-9-28)19-7-6-18(22(31)25-2)26-21(19)24/h4-7H,8-13H2,1-3H3,(H,25,31)
InChIKeyZHVNDJNFBOHILM-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.01
Rot. Bonds4

About 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 163606109) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID163606109
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3C)CC(=O)C(OC)=N4)CC2)c(F)n1
InChIInChI=1S/C23H26FN5O3/c1-14-15(4-5-17-16(14)12-20(30)23(27-17)32-3)13-28-8-10-29(11-9-28)19-7-6-18(22(31)25-2)26-21(19)24/h4-7H,8-13H2,1-3H3,(H,25,31)
InChIKeyZHVNDJNFBOHILM-UHFFFAOYSA-N
XLogP2.01
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

US20250082630, Example 58
CID 162524423
US20250082630, Example 31
CID 162524424
US20250082630, Example 59
CID 162524442
US20250082630, Example 60
CID 162524446
CID 162524448
CID 162524448
US20250082630, Example 40
CID 162524521
US20250082630, Example 39
CID 162524528
US20250082630, Example 43
CID 162524561
US20250082630, Example 1
CID 162524568
US20250082630, Example 6
CID 163655674
US20250082630, Example 20
CID 163781151
US20250082630, Example 19
CID 163978495

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 163606109) is 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3C)CC(=O)C(OC)=N4)CC2)c(F)n1.
What is the InChIKey of 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is ZHVNDJNFBOHILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-14-15(4-5-17-16(14)12-20(30)23(27-17)32-3)13-28-8-10-29(11-9-28)19-7-6-18(22(31)25-2)26-21(19)24/h4-7H,8-13H2,1-3H3,(H,25,31).
What are the key properties of 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 163606109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).