7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C24H23FN2O2 — CID 90310817

IUPAC7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1OCc1ccccc1
InChIInChI=1S/C24H23FN2O2/c25-22-19(18-13-21-24(27-14-18)26-11-12-28-21)9-10-20(17-7-4-8-17)23(22)29-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,(H,26,27)
InChIKeyLUJLSXKMEDAUFG-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.54
Rot. Bonds5

About 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 90310817) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID90310817
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1OCc1ccccc1
InChIInChI=1S/C24H23FN2O2/c25-22-19(18-13-21-24(27-14-18)26-11-12-28-21)9-10-20(17-7-4-8-17)23(22)29-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,(H,26,27)
InChIKeyLUJLSXKMEDAUFG-UHFFFAOYSA-N
XLogP5.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 90310817) is 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Fc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1OCc1ccccc1.
What is the InChIKey of 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is LUJLSXKMEDAUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-22-19(18-13-21-24(27-14-18)26-11-12-28-21)9-10-20(17-7-4-8-17)23(22)29-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,(H,26,27).
What are the key properties of 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 390.46 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclobutyl-2-fluoro-3-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 90310817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).