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

C18H19F3N2O — CID 10640594

IUPAC1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one
SMILESCC1=CC(C)(C)N(C)c2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C
InChIInChI=1S/C18H19F3N2O/c1-10-9-17(2,3)23(5)15-8-14-12(6-11(10)15)13(18(19,20)21)7-16(24)22(14)4/h6-9H,1-5H3
InChIKeyFYCXKGHEYHXTOX-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.19
Rot. Bonds

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

1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one (PubChem CID 10640594) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one.

Molecular Properties

Compound Name1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one
PubChem CID10640594
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one
SMILESCC1=CC(C)(C)N(C)c2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C
InChIInChI=1S/C18H19F3N2O/c1-10-9-17(2,3)23(5)15-8-14-12(6-11(10)15)13(18(19,20)21)7-16(24)22(14)4/h6-9H,1-5H3
InChIKeyFYCXKGHEYHXTOX-UHFFFAOYSA-N
XLogP4.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one?
The IUPAC name of 1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one (CID 10640594) is 1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one.
What is the SMILES notation for 1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one?
The canonical SMILES for 1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one is CC1=CC(C)(C)N(C)c2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C.
What is the InChIKey of 1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one?
The InChIKey is FYCXKGHEYHXTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-10-9-17(2,3)23(5)15-8-14-12(6-11(10)15)13(18(19,20)21)7-16(24)22(14)4/h6-9H,1-5H3.
What are the key properties of 1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one?
1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one has a molecular weight of 336.36 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,9-pentamethyl-6-(trifluoromethyl)pyrido[3,2-g]quinolin-8-one is sourced from PubChem (CID 10640594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).