5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline

C11H4F4N2O — CID 642423

IUPAC5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline
SMILESCc1noc2nc3c(F)c(F)c(F)c(F)c3cc12
InChIInChI=1S/C11H4F4N2O/c1-3-4-2-5-6(12)7(13)8(14)9(15)10(5)16-11(4)18-17-3/h2H,1H3
InChIKeyQMZRVGXMHFKIRI-UHFFFAOYSA-N
MW256.16 g/mol
LogP3.24
Rot. Bonds

About 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline

5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline (PubChem CID 642423) has the molecular formula C11H4F4N2O and a molecular weight of 256.16 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline
PubChem CID642423
Molecular FormulaC11H4F4N2O
Molecular Weight256.16 g/mol
Exact Mass256.03
IUPAC Name5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline
SMILESCc1noc2nc3c(F)c(F)c(F)c(F)c3cc12
InChIInChI=1S/C11H4F4N2O/c1-3-4-2-5-6(12)7(13)8(14)9(15)10(5)16-11(4)18-17-3/h2H,1H3
InChIKeyQMZRVGXMHFKIRI-UHFFFAOYSA-N
XLogP3.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline?
The IUPAC name of 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline (CID 642423) is 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline.
What is the SMILES notation for 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline?
The canonical SMILES for 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline is Cc1noc2nc3c(F)c(F)c(F)c(F)c3cc12.
What is the InChIKey of 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline?
The InChIKey is QMZRVGXMHFKIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F4N2O/c1-3-4-2-5-6(12)7(13)8(14)9(15)10(5)16-11(4)18-17-3/h2H,1H3.
What are the key properties of 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline?
5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline has a molecular weight of 256.16 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoro-3-methyl-[1,2]oxazolo[5,4-b]quinoline is sourced from PubChem (CID 642423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).