7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one

C15H14F4N2O — CID 59454122

IUPAC7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one
SMILESCC1(C)C=CC2=CC3C(C(F)(F)F)=C(F)C(=O)NC3C=C2N1
InChIInChI=1S/C15H14F4N2O/c1-14(2)4-3-7-5-8-10(6-9(7)21-14)20-13(22)12(16)11(8)15(17,18)19/h3-6,8,10,21H,1-2H3,(H,20,22)
InChIKeyKYTBPIJCCGYBPT-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.65
Rot. Bonds

About 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one

7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one (PubChem CID 59454122) has the molecular formula C15H14F4N2O and a molecular weight of 314.28 g/mol. Its IUPAC name is 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one.

Molecular Properties

Compound Name7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one
PubChem CID59454122
Molecular FormulaC15H14F4N2O
Molecular Weight314.28 g/mol
Exact Mass314.10
IUPAC Name7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one
SMILESCC1(C)C=CC2=CC3C(C(F)(F)F)=C(F)C(=O)NC3C=C2N1
InChIInChI=1S/C15H14F4N2O/c1-14(2)4-3-7-5-8-10(6-9(7)21-14)20-13(22)12(16)11(8)15(17,18)19/h3-6,8,10,21H,1-2H3,(H,20,22)
InChIKeyKYTBPIJCCGYBPT-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one?
The IUPAC name of 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one (CID 59454122) is 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one.
What is the SMILES notation for 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one?
The canonical SMILES for 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one is CC1(C)C=CC2=CC3C(C(F)(F)F)=C(F)C(=O)NC3C=C2N1.
What is the InChIKey of 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one?
The InChIKey is KYTBPIJCCGYBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O/c1-14(2)4-3-7-5-8-10(6-9(7)21-14)20-13(22)12(16)11(8)15(17,18)19/h3-6,8,10,21H,1-2H3,(H,20,22).
What are the key properties of 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one?
7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one has a molecular weight of 314.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one is sourced from PubChem (CID 59454122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).