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

C21H14FN3O2 — CID 175996137

IUPAC4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
SMILESN#Cc1ccc(-c2cncc3c2OCCN3C(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H14FN3O2/c22-18-4-2-1-3-16(18)21(26)25-9-10-27-20-17(12-24-13-19(20)25)15-7-5-14(11-23)6-8-15/h1-8,12-13H,9-10H2
InChIKeyLUQFCDLVKGLRLT-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.80
Rot. Bonds2

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

4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile (PubChem CID 175996137) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
PubChem CID175996137
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
SMILESN#Cc1ccc(-c2cncc3c2OCCN3C(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H14FN3O2/c22-18-4-2-1-3-16(18)21(26)25-9-10-27-20-17(12-24-13-19(20)25)15-7-5-14(11-23)6-8-15/h1-8,12-13H,9-10H2
InChIKeyLUQFCDLVKGLRLT-UHFFFAOYSA-N
XLogP3.80
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile?
The IUPAC name of 4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile (CID 175996137) is 4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile.
What is the SMILES notation for 4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile?
The canonical SMILES for 4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile is N#Cc1ccc(-c2cncc3c2OCCN3C(=O)c2ccccc2F)cc1.
What is the InChIKey of 4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile?
The InChIKey is LUQFCDLVKGLRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-18-4-2-1-3-16(18)21(26)25-9-10-27-20-17(12-24-13-19(20)25)15-7-5-14(11-23)6-8-15/h1-8,12-13H,9-10H2.
What are the key properties of 4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile?
4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile has a molecular weight of 359.36 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile is sourced from PubChem (CID 175996137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).