4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile

C23H18FN3O2 — CID 175995841

IUPAC4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
SMILESN#Cc1ccc(-c2cncc3c2OCCN3C(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O2/c24-19-8-3-16(4-9-19)5-10-22(28)27-11-12-29-23-20(14-26-15-21(23)27)18-6-1-17(13-25)2-7-18/h1-4,6-9,14-15H,5,10-12H2
InChIKeyPIYAFZUGDHOBDO-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.12
Rot. Bonds4

About 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile

4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile (PubChem CID 175995841) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
PubChem CID175995841
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
SMILESN#Cc1ccc(-c2cncc3c2OCCN3C(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O2/c24-19-8-3-16(4-9-19)5-10-22(28)27-11-12-29-23-20(14-26-15-21(23)27)18-6-1-17(13-25)2-7-18/h1-4,6-9,14-15H,5,10-12H2
InChIKeyPIYAFZUGDHOBDO-UHFFFAOYSA-N
XLogP4.12
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile?
The IUPAC name of 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile (CID 175995841) is 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile.
What is the SMILES notation for 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile?
The canonical SMILES for 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile is N#Cc1ccc(-c2cncc3c2OCCN3C(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile?
The InChIKey is PIYAFZUGDHOBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-19-8-3-16(4-9-19)5-10-22(28)27-11-12-29-23-20(14-26-15-21(23)27)18-6-1-17(13-25)2-7-18/h1-4,6-9,14-15H,5,10-12H2.
What are the key properties of 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile?
4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile has a molecular weight of 387.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-fluorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile is sourced from PubChem (CID 175995841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).