10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione

C22H20FN3O5 — CID 17037274

IUPAC10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
SMILESCOc1ccc(N2C(=O)NC(=O)C3(Cc4cccc(F)c4N4CCOCC43)C2=O)cc1
InChIInChI=1S/C22H20FN3O5/c1-30-15-7-5-14(6-8-15)26-20(28)22(19(27)24-21(26)29)11-13-3-2-4-16(23)18(13)25-9-10-31-12-17(22)25/h2-8,17H,9-12H2,1H3,(H,24,27,29)
InChIKeyNGBGJZGLWQIINZ-UHFFFAOYSA-N
MW425.42 g/mol
LogP1.87
Rot. Bonds2

About 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione

10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione (PubChem CID 17037274) has the molecular formula C22H20FN3O5 and a molecular weight of 425.42 g/mol. Its IUPAC name is 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione.

Molecular Properties

Compound Name10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
PubChem CID17037274
Molecular FormulaC22H20FN3O5
Molecular Weight425.42 g/mol
Exact Mass425.14
IUPAC Name10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
SMILESCOc1ccc(N2C(=O)NC(=O)C3(Cc4cccc(F)c4N4CCOCC43)C2=O)cc1
InChIInChI=1S/C22H20FN3O5/c1-30-15-7-5-14(6-8-15)26-20(28)22(19(27)24-21(26)29)11-13-3-2-4-16(23)18(13)25-9-10-31-12-17(22)25/h2-8,17H,9-12H2,1H3,(H,24,27,29)
InChIKeyNGBGJZGLWQIINZ-UHFFFAOYSA-N
XLogP1.87
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione?
The IUPAC name of 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione (CID 17037274) is 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione.
What is the SMILES notation for 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione?
The canonical SMILES for 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione is COc1ccc(N2C(=O)NC(=O)C3(Cc4cccc(F)c4N4CCOCC43)C2=O)cc1.
What is the InChIKey of 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione?
The InChIKey is NGBGJZGLWQIINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5/c1-30-15-7-5-14(6-8-15)26-20(28)22(19(27)24-21(26)29)11-13-3-2-4-16(23)18(13)25-9-10-31-12-17(22)25/h2-8,17H,9-12H2,1H3,(H,24,27,29).
What are the key properties of 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione?
10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione has a molecular weight of 425.42 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-fluoro-1-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione is sourced from PubChem (CID 17037274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).