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

C18H19F3N2O — CID 10830667

IUPAC9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one
SMILESCCn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)NC(C)(C)C=C3C
InChIInChI=1S/C18H19F3N2O/c1-5-23-15-8-14-11(10(2)9-17(3,4)22-14)6-12(15)13(7-16(23)24)18(19,20)21/h6-9,22H,5H2,1-4H3
InChIKeySUOLVBXOGKTSDU-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.65
Rot. Bonds1

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

9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one (PubChem CID 10830667) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one.

Molecular Properties

Compound Name9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one
PubChem CID10830667
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one
SMILESCCn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)NC(C)(C)C=C3C
InChIInChI=1S/C18H19F3N2O/c1-5-23-15-8-14-11(10(2)9-17(3,4)22-14)6-12(15)13(7-16(23)24)18(19,20)21/h6-9,22H,5H2,1-4H3
InChIKeySUOLVBXOGKTSDU-UHFFFAOYSA-N
XLogP4.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one?
The IUPAC name of 9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one (CID 10830667) is 9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one.
What is the SMILES notation for 9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one?
The canonical SMILES for 9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one is CCn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)NC(C)(C)C=C3C.
What is the InChIKey of 9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one?
The InChIKey is SUOLVBXOGKTSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-5-23-15-8-14-11(10(2)9-17(3,4)22-14)6-12(15)13(7-16(23)24)18(19,20)21/h6-9,22H,5H2,1-4H3.
What are the key properties of 9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one?
9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one has a molecular weight of 336.36 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,2,4-trimethyl-6-(trifluoromethyl)-1H-pyrido[3,2-g]quinolin-8-one is sourced from PubChem (CID 10830667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).