5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide

C23H24FN5O3 — CID 177234615

IUPAC5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide
SMILESCCc1nc2cc(F)c(CN3CC=C(c4cnc(C(=O)NC)cc4C)CO3)cc2[nH]c1=O
InChIInChI=1S/C23H24FN5O3/c1-4-18-23(31)28-19-8-15(17(24)9-20(19)27-18)11-29-6-5-14(12-32-29)16-10-26-21(7-13(16)2)22(30)25-3/h5,7-10H,4,6,11-12H2,1-3H3,(H,25,30)(H,28,31)
InChIKeyZJGYXFBDYWGJKO-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.52
Rot. Bonds5

About 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide

5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide (PubChem CID 177234615) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide
PubChem CID177234615
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide
SMILESCCc1nc2cc(F)c(CN3CC=C(c4cnc(C(=O)NC)cc4C)CO3)cc2[nH]c1=O
InChIInChI=1S/C23H24FN5O3/c1-4-18-23(31)28-19-8-15(17(24)9-20(19)27-18)11-29-6-5-14(12-32-29)16-10-26-21(7-13(16)2)22(30)25-3/h5,7-10H,4,6,11-12H2,1-3H3,(H,25,30)(H,28,31)
InChIKeyZJGYXFBDYWGJKO-UHFFFAOYSA-N
XLogP2.52
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide
CID 177234480
4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide
CID 177234462
4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide
CID 177234403
ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one
CID 168995296
6-fluoro-N-methyl-5-[2-[(8-methyl-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]pyridine-2-carboxamide
CID 177234588
5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 171445036
6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide
CID 177234436
5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
CID 171487947
N-(3,3-difluoropyrrolidin-1-yl)-5-[1-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoropyridine-2-carboxamide
CID 178132010
5-[4-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 155586983
5-[1-[(2,8-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
CID 171776718
(Z)-2-[[(Z)-1-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]prop-1-enyl]iminomethyl]-N-methylpent-2-enamide
CID 177234577

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide (CID 177234615) is 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide is CCc1nc2cc(F)c(CN3CC=C(c4cnc(C(=O)NC)cc4C)CO3)cc2[nH]c1=O.
What is the InChIKey of 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide?
The InChIKey is ZJGYXFBDYWGJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-4-18-23(31)28-19-8-15(17(24)9-20(19)27-18)11-29-6-5-14(12-32-29)16-10-26-21(7-13(16)2)22(30)25-3/h5,7-10H,4,6,11-12H2,1-3H3,(H,25,30)(H,28,31).
What are the key properties of 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide?
5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 177234615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).