4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one

C14H14FNO2 — CID 69073064

IUPAC4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCCC2=COCC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H14FNO2/c15-11-6-4-10(5-7-11)13-9-18-8-12-2-1-3-14(17)16(12)13/h4-8,13H,1-3,9H2
InChIKeyZGBAIEMIZCYSHM-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.75
Rot. Bonds1

About 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one

4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one (PubChem CID 69073064) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one
PubChem CID69073064
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCCC2=COCC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H14FNO2/c15-11-6-4-10(5-7-11)13-9-18-8-12-2-1-3-14(17)16(12)13/h4-8,13H,1-3,9H2
InChIKeyZGBAIEMIZCYSHM-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one?
The IUPAC name of 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one (CID 69073064) is 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one is O=C1CCCC2=COCC(c3ccc(F)cc3)N12.
What is the InChIKey of 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one?
The InChIKey is ZGBAIEMIZCYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-11-6-4-10(5-7-11)13-9-18-8-12-2-1-3-14(17)16(12)13/h4-8,13H,1-3,9H2.
What are the key properties of 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one?
4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one has a molecular weight of 247.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4,7,8,9-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 69073064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).