5-fluoro-1-methyl-3,4-dihydroquinolin-2-one

C10H10FNO — CID 22413807

IUPAC5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c(F)cccc21
InChIInChI=1S/C10H10FNO/c1-12-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-4H,5-6H2,1H3
InChIKeyGEMAJBKVOLBULO-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.73
Rot. Bonds

About 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one

5-fluoro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 22413807) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID22413807
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c(F)cccc21
InChIInChI=1S/C10H10FNO/c1-12-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-4H,5-6H2,1H3
InChIKeyGEMAJBKVOLBULO-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one (CID 22413807) is 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c(F)cccc21.
What is the InChIKey of 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is GEMAJBKVOLBULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-12-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-4H,5-6H2,1H3.
What are the key properties of 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
5-fluoro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 179.19 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 22413807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).