3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one

C19H15FN2O2 — CID 46959821

IUPAC3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESO=C1Oc2nc3ccccc3cc2CN1CCc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2/c20-16-7-5-13(6-8-16)9-10-22-12-15-11-14-3-1-2-4-17(14)21-18(15)24-19(22)23/h1-8,11H,9-10,12H2
InChIKeyMYCARNDDVJLBNR-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.93
Rot. Bonds3

About 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one

3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one (PubChem CID 46959821) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one
PubChem CID46959821
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESO=C1Oc2nc3ccccc3cc2CN1CCc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2/c20-16-7-5-13(6-8-16)9-10-22-12-15-11-14-3-1-2-4-17(14)21-18(15)24-19(22)23/h1-8,11H,9-10,12H2
InChIKeyMYCARNDDVJLBNR-UHFFFAOYSA-N
XLogP3.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one (CID 46959821) is 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one is O=C1Oc2nc3ccccc3cc2CN1CCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The InChIKey is MYCARNDDVJLBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-16-7-5-13(6-8-16)9-10-22-12-15-11-14-3-1-2-4-17(14)21-18(15)24-19(22)23/h1-8,11H,9-10,12H2.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one has a molecular weight of 322.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one is sourced from PubChem (CID 46959821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).