6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one

C15H13FN2O2 — CID 28972700

IUPAC6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc(Oc2ccc3c(c2)CCC(=O)N3)c(F)c1
InChIInChI=1S/C15H13FN2O2/c16-12-8-10(17)2-5-14(12)20-11-3-4-13-9(7-11)1-6-15(19)18-13/h2-5,7-8H,1,6,17H2,(H,18,19)
InChIKeyJCUQBKIVSWUNLC-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.08
Rot. Bonds2

About 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one

6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 28972700) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID28972700
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc(Oc2ccc3c(c2)CCC(=O)N3)c(F)c1
InChIInChI=1S/C15H13FN2O2/c16-12-8-10(17)2-5-14(12)20-11-3-4-13-9(7-11)1-6-15(19)18-13/h2-5,7-8H,1,6,17H2,(H,18,19)
InChIKeyJCUQBKIVSWUNLC-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one (CID 28972700) is 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one is Nc1ccc(Oc2ccc3c(c2)CCC(=O)N3)c(F)c1.
What is the InChIKey of 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JCUQBKIVSWUNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-12-8-10(17)2-5-14(12)20-11-3-4-13-9(7-11)1-6-15(19)18-13/h2-5,7-8H,1,6,17H2,(H,18,19).
What are the key properties of 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 272.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 28972700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).