8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one

C15H14F3NO2 — CID 22218142

IUPAC8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one
SMILESCC1(C)CCc2cc3c(C(F)(F)F)cc(=O)oc3cc2N1
InChIInChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,3-4H2,1-2H3
InChIKeyXCAOBUOTWGIJFB-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.95
Rot. Bonds

About 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one

8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one (PubChem CID 22218142) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one.

Molecular Properties

Compound Name8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one
PubChem CID22218142
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one
SMILESCC1(C)CCc2cc3c(C(F)(F)F)cc(=O)oc3cc2N1
InChIInChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,3-4H2,1-2H3
InChIKeyXCAOBUOTWGIJFB-UHFFFAOYSA-N
XLogP3.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one?
The IUPAC name of 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one (CID 22218142) is 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one.
What is the SMILES notation for 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one?
The canonical SMILES for 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one is CC1(C)CCc2cc3c(C(F)(F)F)cc(=O)oc3cc2N1.
What is the InChIKey of 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one?
The InChIKey is XCAOBUOTWGIJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,3-4H2,1-2H3.
What are the key properties of 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one?
8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one has a molecular weight of 297.28 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrano[3,2-g]quinolin-2-one is sourced from PubChem (CID 22218142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).