2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one

C17H17F3N2O — CID 10591908

IUPAC2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one
SMILESCC1=CC(C)(C)Nc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C
InChIInChI=1S/C17H17F3N2O/c1-9-8-16(2,3)21-13-7-14-11(5-10(9)13)12(17(18,19)20)6-15(23)22(14)4/h5-8,21H,1-4H3
InChIKeyXCZSJKKONDGKDF-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.16
Rot. Bonds

About 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one

2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one (PubChem CID 10591908) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one.

Molecular Properties

Compound Name2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one
PubChem CID10591908
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one
SMILESCC1=CC(C)(C)Nc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C
InChIInChI=1S/C17H17F3N2O/c1-9-8-16(2,3)21-13-7-14-11(5-10(9)13)12(17(18,19)20)6-15(23)22(14)4/h5-8,21H,1-4H3
InChIKeyXCZSJKKONDGKDF-UHFFFAOYSA-N
XLogP4.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one?
The IUPAC name of 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one (CID 10591908) is 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one.
What is the SMILES notation for 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one?
The canonical SMILES for 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one is CC1=CC(C)(C)Nc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C.
What is the InChIKey of 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one?
The InChIKey is XCZSJKKONDGKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-9-8-16(2,3)21-13-7-14-11(5-10(9)13)12(17(18,19)20)6-15(23)22(14)4/h5-8,21H,1-4H3.
What are the key properties of 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one?
2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one has a molecular weight of 322.33 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,9-tetramethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one is sourced from PubChem (CID 10591908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).