ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate

C22H24FN3O4 — CID 154642501

IUPACethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)cc1F
InChIInChI=1S/C22H24FN3O4/c1-2-29-22(28)17-7-6-16(13-18(17)23)26-10-11-30-19-12-15(14-24-20(19)26)21(27)25-8-4-3-5-9-25/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyHQFYDIGAFNAHDX-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.55
Rot. Bonds4

About ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate

ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate (PubChem CID 154642501) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate
PubChem CID154642501
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Nameethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)cc1F
InChIInChI=1S/C22H24FN3O4/c1-2-29-22(28)17-7-6-16(13-18(17)23)26-10-11-30-19-12-15(14-24-20(19)26)21(27)25-8-4-3-5-9-25/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyHQFYDIGAFNAHDX-UHFFFAOYSA-N
XLogP3.55
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate?
The IUPAC name of ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate (CID 154642501) is ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate.
What is the SMILES notation for ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate?
The canonical SMILES for ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate is CCOC(=O)c1ccc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)cc1F.
What is the InChIKey of ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate?
The InChIKey is HQFYDIGAFNAHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-2-29-22(28)17-7-6-16(13-18(17)23)26-10-11-30-19-12-15(14-24-20(19)26)21(27)25-8-4-3-5-9-25/h6-7,12-14H,2-5,8-11H2,1H3.
What are the key properties of ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate?
ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate has a molecular weight of 413.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate is sourced from PubChem (CID 154642501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).