8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one

C18H13FN2O2 — CID 59988369

IUPAC8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one
SMILESO=C1OCCn2cc(-c3ccncc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C18H13FN2O2/c19-14-3-1-13(2-4-14)16-15(12-5-7-20-8-6-12)11-21-9-10-23-18(22)17(16)21/h1-8,11H,9-10H2
InChIKeyAJBBUWXDHXHAIZ-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.53
Rot. Bonds2

About 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one

8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one (PubChem CID 59988369) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one.

Molecular Properties

Compound Name8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one
PubChem CID59988369
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one
SMILESO=C1OCCn2cc(-c3ccncc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C18H13FN2O2/c19-14-3-1-13(2-4-14)16-15(12-5-7-20-8-6-12)11-21-9-10-23-18(22)17(16)21/h1-8,11H,9-10H2
InChIKeyAJBBUWXDHXHAIZ-UHFFFAOYSA-N
XLogP3.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44419766
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CID 44419771
CID 44419771
CID 44419777
CID 44419777
CID 44419781
CID 44419781
CID 44419782
CID 44419782
CID 44419788
CID 44419788
CID 44419791
CID 44419791
CID 44419792
CID 44419792
CID 44419820
CID 44419820
CID 44419829
CID 44419829

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one?
The IUPAC name of 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one (CID 59988369) is 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one.
What is the SMILES notation for 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one?
The canonical SMILES for 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one is O=C1OCCn2cc(-c3ccncc3)c(-c3ccc(F)cc3)c21.
What is the InChIKey of 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one?
The InChIKey is AJBBUWXDHXHAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-14-3-1-13(2-4-14)16-15(12-5-7-20-8-6-12)11-21-9-10-23-18(22)17(16)21/h1-8,11H,9-10H2.
What are the key properties of 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one?
8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one has a molecular weight of 308.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-7-pyridin-4-yl-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one is sourced from PubChem (CID 59988369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).