ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate

C16H21FN2O3 — CID 145333064

IUPACethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate
SMILESCCOC(=O)C1(CF)Cc2ncc(C)cc2N2CCOCC21
InChIInChI=1S/C16H21FN2O3/c1-3-22-15(20)16(10-17)7-12-13(6-11(2)8-18-12)19-4-5-21-9-14(16)19/h6,8,14H,3-5,7,9-10H2,1-2H3
InChIKeyPFMDTNDIOBJGGC-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.67
Rot. Bonds3

About ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate

ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate (PubChem CID 145333064) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate
PubChem CID145333064
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nameethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate
SMILESCCOC(=O)C1(CF)Cc2ncc(C)cc2N2CCOCC21
InChIInChI=1S/C16H21FN2O3/c1-3-22-15(20)16(10-17)7-12-13(6-11(2)8-18-12)19-4-5-21-9-14(16)19/h6,8,14H,3-5,7,9-10H2,1-2H3
InChIKeyPFMDTNDIOBJGGC-UHFFFAOYSA-N
XLogP1.67
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate
CID 129248639
[(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol
CID 129272346
4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 105368068
4-(3-amino-5-methyl-2-pyridinyl)morpholine-3-carboxamide
CID 83101058
ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate
CID 113377140
4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide
CID 83106285
N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
CID 105368651
methyl 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carboxylate
CID 114047041
ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
CID 90291472
ethyl 2-(3-aminomorpholin-4-yl)benzoate
CID 174958106
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053
ethyl (1S,2S,4R)-2-ethyl-7-(3-methyl-4-morpholin-4-ylbenzoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 164699365

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate?
The IUPAC name of ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate (CID 145333064) is ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate.
What is the SMILES notation for ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate?
The canonical SMILES for ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate is CCOC(=O)C1(CF)Cc2ncc(C)cc2N2CCOCC21.
What is the InChIKey of ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate?
The InChIKey is PFMDTNDIOBJGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-3-22-15(20)16(10-17)7-12-13(6-11(2)8-18-12)19-4-5-21-9-14(16)19/h6,8,14H,3-5,7,9-10H2,1-2H3.
What are the key properties of ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate?
ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate has a molecular weight of 308.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate is sourced from PubChem (CID 145333064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).