7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione

C16H10FNO3 — CID 163360806

IUPAC7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(Oc1ccc(F)cc1)=CC2=O
InChIInChI=1S/C16H10FNO3/c1-9-2-7-12-13(19)8-14(16(20)15(12)18-9)21-11-5-3-10(17)4-6-11/h2-8H,1H3
InChIKeyKVWHPEXYQXGGBJ-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.87
Rot. Bonds2

About 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione

7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione (PubChem CID 163360806) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione.

Molecular Properties

Compound Name7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione
PubChem CID163360806
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(Oc1ccc(F)cc1)=CC2=O
InChIInChI=1S/C16H10FNO3/c1-9-2-7-12-13(19)8-14(16(20)15(12)18-9)21-11-5-3-10(17)4-6-11/h2-8H,1H3
InChIKeyKVWHPEXYQXGGBJ-UHFFFAOYSA-N
XLogP2.87
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione?
The IUPAC name of 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione (CID 163360806) is 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione.
What is the SMILES notation for 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione?
The canonical SMILES for 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione is Cc1ccc2c(n1)C(=O)C(Oc1ccc(F)cc1)=CC2=O.
What is the InChIKey of 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione?
The InChIKey is KVWHPEXYQXGGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c1-9-2-7-12-13(19)8-14(16(20)15(12)18-9)21-11-5-3-10(17)4-6-11/h2-8H,1H3.
What are the key properties of 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione?
7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione has a molecular weight of 283.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenoxy)-2-methylquinoline-5,8-dione is sourced from PubChem (CID 163360806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).