8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one

C10H10FNO — CID 130935642

IUPAC8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one
SMILESCc1ccc2c(c1F)NCCC2=O
InChIInChI=1S/C10H10FNO/c1-6-2-3-7-8(13)4-5-12-10(7)9(6)11/h2-3,12H,4-5H2,1H3
InChIKeyAKUPLZOQDOGDTC-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.13
Rot. Bonds

About 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one

8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 130935642) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID130935642
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one
SMILESCc1ccc2c(c1F)NCCC2=O
InChIInChI=1S/C10H10FNO/c1-6-2-3-7-8(13)4-5-12-10(7)9(6)11/h2-3,12H,4-5H2,1H3
InChIKeyAKUPLZOQDOGDTC-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one (CID 130935642) is 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one is Cc1ccc2c(c1F)NCCC2=O.
What is the InChIKey of 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is AKUPLZOQDOGDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6-2-3-7-8(13)4-5-12-10(7)9(6)11/h2-3,12H,4-5H2,1H3.
What are the key properties of 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one?
8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 179.19 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 130935642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).