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

C24H25FN4O3 — CID 177234403

IUPAC4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide
SMILESCCc1nc2ccc(CN3CC=C(c4ccc(C(=O)NC)c(C)c4)CO3)c(F)c2[nH]c1=O
InChIInChI=1S/C24H25FN4O3/c1-4-19-24(31)28-22-20(27-19)8-6-16(21(22)25)12-29-10-9-17(13-32-29)15-5-7-18(14(2)11-15)23(30)26-3/h5-9,11H,4,10,12-13H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyCKVVALHQFOONLJ-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.12
Rot. Bonds5

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

4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide (PubChem CID 177234403) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide
PubChem CID177234403
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide
SMILESCCc1nc2ccc(CN3CC=C(c4ccc(C(=O)NC)c(C)c4)CO3)c(F)c2[nH]c1=O
InChIInChI=1S/C24H25FN4O3/c1-4-19-24(31)28-22-20(27-19)8-6-16(21(22)25)12-29-10-9-17(13-32-29)15-5-7-18(14(2)11-15)23(30)26-3/h5-9,11H,4,10,12-13H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyCKVVALHQFOONLJ-UHFFFAOYSA-N
XLogP3.12
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide 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
(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
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
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one
CID 162524420
N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide
CID 170781580
6-(difluoromethyl)-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524515
4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide
CID 177234462
5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 178131889
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-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110755
N-cyclopropyl-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169110858
6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 178131856

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide?
The IUPAC name of 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide (CID 177234403) is 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide is CCc1nc2ccc(CN3CC=C(c4ccc(C(=O)NC)c(C)c4)CO3)c(F)c2[nH]c1=O.
What is the InChIKey of 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide?
The InChIKey is CKVVALHQFOONLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-4-19-24(31)28-22-20(27-19)8-6-16(21(22)25)12-29-10-9-17(13-32-29)15-5-7-18(14(2)11-15)23(30)26-3/h5-9,11H,4,10,12-13H2,1-3H3,(H,26,30)(H,28,31).
What are the key properties of 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide?
4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide has a molecular weight of 436.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide is sourced from PubChem (CID 177234403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).