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

C22H25FN6O3 — CID 162524521

IUPAC5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3F)CC2)c(C)n1
InChIInChI=1S/C22H25FN6O3/c1-13-17(7-6-16(25-13)20(30)24-2)29-10-8-28(9-11-29)12-14-4-5-15-19(18(14)23)27-21(31)22(26-15)32-3/h4-7H,8-12H2,1-3H3,(H,24,30)(H,27,31)
InChIKeyZYNKGYRAMHOYSE-UHFFFAOYSA-N
MW440.48 g/mol
LogP1.46
Rot. Bonds5

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

5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 162524521) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID162524521
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Name5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3F)CC2)c(C)n1
InChIInChI=1S/C22H25FN6O3/c1-13-17(7-6-16(25-13)20(30)24-2)29-10-8-28(9-11-29)12-14-4-5-15-19(18(14)23)27-21(31)22(26-15)32-3/h4-7H,8-12H2,1-3H3,(H,24,30)(H,27,31)
InChIKeyZYNKGYRAMHOYSE-UHFFFAOYSA-N
XLogP1.46
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (CID 162524521) is 5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3F)CC2)c(C)n1.
What is the InChIKey of 5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is ZYNKGYRAMHOYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-13-17(7-6-16(25-13)20(30)24-2)29-10-8-28(9-11-29)12-14-4-5-15-19(18(14)23)27-21(31)22(26-15)32-3/h4-7H,8-12H2,1-3H3,(H,24,30)(H,27,31).
What are the key properties of 5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-fluoro-2-methoxy-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 162524521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).