1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one

C12H10F3NO2 — CID 82623495

IUPAC1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one
SMILESCC(=O)N1CC(=O)Cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H10F3NO2/c1-7(17)16-6-9(18)5-8-3-2-4-10(11(8)16)12(13,14)15/h2-4H,5-6H2,1H3
InChIKeyKALZMJLJQJOAMN-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.18
Rot. Bonds

About 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one

1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one (PubChem CID 82623495) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one.

Molecular Properties

Compound Name1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one
PubChem CID82623495
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one
SMILESCC(=O)N1CC(=O)Cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H10F3NO2/c1-7(17)16-6-9(18)5-8-3-2-4-10(11(8)16)12(13,14)15/h2-4H,5-6H2,1H3
InChIKeyKALZMJLJQJOAMN-UHFFFAOYSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one?
The IUPAC name of 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one (CID 82623495) is 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one.
What is the SMILES notation for 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one?
The canonical SMILES for 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one is CC(=O)N1CC(=O)Cc2cccc(C(F)(F)F)c21.
What is the InChIKey of 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one?
The InChIKey is KALZMJLJQJOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-7(17)16-6-9(18)5-8-3-2-4-10(11(8)16)12(13,14)15/h2-4H,5-6H2,1H3.
What are the key properties of 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one?
1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one has a molecular weight of 257.21 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-8-(trifluoromethyl)-2,4-dihydroquinolin-3-one is sourced from PubChem (CID 82623495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).