6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one

C12H10F3NO3 — CID 91668319

IUPAC6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one
SMILESCOC1=CC2=NC(=O)C=C(C(F)(F)F)C2C=C1OC
InChIInChI=1S/C12H10F3NO3/c1-18-9-3-6-7(12(13,14)15)4-11(17)16-8(6)5-10(9)19-2/h3-6H,1-2H3
InChIKeyDUKXNVGUTNGOHW-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.15
Rot. Bonds2

About 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one

6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one (PubChem CID 91668319) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one
PubChem CID91668319
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one
SMILESCOC1=CC2=NC(=O)C=C(C(F)(F)F)C2C=C1OC
InChIInChI=1S/C12H10F3NO3/c1-18-9-3-6-7(12(13,14)15)4-11(17)16-8(6)5-10(9)19-2/h3-6H,1-2H3
InChIKeyDUKXNVGUTNGOHW-UHFFFAOYSA-N
XLogP2.15
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one (CID 91668319) is 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one is COC1=CC2=NC(=O)C=C(C(F)(F)F)C2C=C1OC.
What is the InChIKey of 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one?
The InChIKey is DUKXNVGUTNGOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c1-18-9-3-6-7(12(13,14)15)4-11(17)16-8(6)5-10(9)19-2/h3-6H,1-2H3.
What are the key properties of 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one?
6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one has a molecular weight of 273.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one is sourced from PubChem (CID 91668319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).