2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one

C16H13FN2O2 — CID 130302132

IUPAC2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one
SMILESNCc1cc(=O)c2cc(Oc3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C16H13FN2O2/c17-10-1-3-12(4-2-10)21-13-5-6-15-14(8-13)16(20)7-11(9-18)19-15/h1-8H,9,18H2,(H,19,20)
InChIKeyAXLNYEKSECPCIK-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.92
Rot. Bonds3

About 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one

2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one (PubChem CID 130302132) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one
PubChem CID130302132
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one
SMILESNCc1cc(=O)c2cc(Oc3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C16H13FN2O2/c17-10-1-3-12(4-2-10)21-13-5-6-15-14(8-13)16(20)7-11(9-18)19-15/h1-8H,9,18H2,(H,19,20)
InChIKeyAXLNYEKSECPCIK-UHFFFAOYSA-N
XLogP2.92
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one?
The IUPAC name of 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one (CID 130302132) is 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one is NCc1cc(=O)c2cc(Oc3ccc(F)cc3)ccc2[nH]1.
What is the InChIKey of 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one?
The InChIKey is AXLNYEKSECPCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-10-1-3-12(4-2-10)21-13-5-6-15-14(8-13)16(20)7-11(9-18)19-15/h1-8H,9,18H2,(H,19,20).
What are the key properties of 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one?
2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one has a molecular weight of 284.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one is sourced from PubChem (CID 130302132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).