7-fluoro-1-methylquinolin-4-one

C10H8FNO — CID 15269531

IUPAC7-fluoro-1-methylquinolin-4-one
SMILESCn1ccc(=O)c2ccc(F)cc21
InChIInChI=1S/C10H8FNO/c1-12-5-4-10(13)8-3-2-7(11)6-9(8)12/h2-6H,1H3
InChIKeyVMEFZSNHLOWSOV-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.68
Rot. Bonds

About 7-fluoro-1-methylquinolin-4-one

7-fluoro-1-methylquinolin-4-one (PubChem CID 15269531) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 7-fluoro-1-methylquinolin-4-one.

Molecular Properties

Compound Name7-fluoro-1-methylquinolin-4-one
PubChem CID15269531
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name7-fluoro-1-methylquinolin-4-one
SMILESCn1ccc(=O)c2ccc(F)cc21
InChIInChI=1S/C10H8FNO/c1-12-5-4-10(13)8-3-2-7(11)6-9(8)12/h2-6H,1H3
InChIKeyVMEFZSNHLOWSOV-UHFFFAOYSA-N
XLogP1.68
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methylquinolin-4-one?
The IUPAC name of 7-fluoro-1-methylquinolin-4-one (CID 15269531) is 7-fluoro-1-methylquinolin-4-one.
What is the SMILES notation for 7-fluoro-1-methylquinolin-4-one?
The canonical SMILES for 7-fluoro-1-methylquinolin-4-one is Cn1ccc(=O)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-methylquinolin-4-one?
The InChIKey is VMEFZSNHLOWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-12-5-4-10(13)8-3-2-7(11)6-9(8)12/h2-6H,1H3.
What are the key properties of 7-fluoro-1-methylquinolin-4-one?
7-fluoro-1-methylquinolin-4-one has a molecular weight of 177.18 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methylquinolin-4-one is sourced from PubChem (CID 15269531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).