2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C13H13F3N2O3 — CID 81107887

IUPAC2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1c2c(ccc1=O)C(=O)CCC2)NCC(F)(F)F
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)7-17-11(20)6-18-9-2-1-3-10(19)8(9)4-5-12(18)21/h4-5H,1-3,6-7H2,(H,17,20)
InChIKeyHKMSJRNPLVTHNO-UHFFFAOYSA-N
MW302.25 g/mol
LogP1.05
Rot. Bonds3

About 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81107887) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81107887
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1c2c(ccc1=O)C(=O)CCC2)NCC(F)(F)F
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)7-17-11(20)6-18-9-2-1-3-10(19)8(9)4-5-12(18)21/h4-5H,1-3,6-7H2,(H,17,20)
InChIKeyHKMSJRNPLVTHNO-UHFFFAOYSA-N
XLogP1.05
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81107887) is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1c2c(ccc1=O)C(=O)CCC2)NCC(F)(F)F.
What is the InChIKey of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HKMSJRNPLVTHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)7-17-11(20)6-18-9-2-1-3-10(19)8(9)4-5-12(18)21/h4-5H,1-3,6-7H2,(H,17,20).
What are the key properties of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 302.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81107887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).