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

C17H17F3N2O — CID 10710954

IUPAC1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one
SMILESCC1=CC(C)(C)N(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21
InChIInChI=1S/C17H17F3N2O/c1-9-8-16(2,3)22(4)14-7-13-11(5-10(9)14)12(17(18,19)20)6-15(23)21-13/h5-8H,1-4H3,(H,21,23)
InChIKeyFKQVAZSXAKKXRL-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.18
Rot. Bonds

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

1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one (PubChem CID 10710954) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one
PubChem CID10710954
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one
SMILESCC1=CC(C)(C)N(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21
InChIInChI=1S/C17H17F3N2O/c1-9-8-16(2,3)22(4)14-7-13-11(5-10(9)14)12(17(18,19)20)6-15(23)21-13/h5-8H,1-4H3,(H,21,23)
InChIKeyFKQVAZSXAKKXRL-UHFFFAOYSA-N
XLogP4.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one?
The IUPAC name of 1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one (CID 10710954) is 1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one.
What is the SMILES notation for 1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one?
The canonical SMILES for 1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one is CC1=CC(C)(C)N(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.
What is the InChIKey of 1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one?
The InChIKey is FKQVAZSXAKKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-9-8-16(2,3)22(4)14-7-13-11(5-10(9)14)12(17(18,19)20)6-15(23)21-13/h5-8H,1-4H3,(H,21,23).
What are the key properties of 1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one?
1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one has a molecular weight of 322.33 g/mol, XLogP of 4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetramethyl-6-(trifluoromethyl)-9H-pyrido[3,2-g]quinolin-8-one is sourced from PubChem (CID 10710954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).