2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide

C20H10F3N3O4 — CID 10971685

IUPAC2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide
SMILESO=C1c2nccc(-c3ccccc3NC(=O)C(F)(F)F)c2C(=O)c2ccc(=O)[nH]c21
InChIInChI=1S/C20H10F3N3O4/c21-20(22,23)19(30)25-12-4-2-1-3-9(12)10-7-8-24-16-14(10)17(28)11-5-6-13(27)26-15(11)18(16)29/h1-8H,(H,25,30)(H,26,27)
InChIKeyAOLNSOSEKLYMGN-UHFFFAOYSA-N
MW413.31 g/mol
LogP2.71
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide

2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide (PubChem CID 10971685) has the molecular formula C20H10F3N3O4 and a molecular weight of 413.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide
PubChem CID10971685
Molecular FormulaC20H10F3N3O4
Molecular Weight413.31 g/mol
Exact Mass413.06
IUPAC Name2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide
SMILESO=C1c2nccc(-c3ccccc3NC(=O)C(F)(F)F)c2C(=O)c2ccc(=O)[nH]c21
InChIInChI=1S/C20H10F3N3O4/c21-20(22,23)19(30)25-12-4-2-1-3-9(12)10-7-8-24-16-14(10)17(28)11-5-6-13(27)26-15(11)18(16)29/h1-8H,(H,25,30)(H,26,27)
InChIKeyAOLNSOSEKLYMGN-UHFFFAOYSA-N
XLogP2.71
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide (CID 10971685) is 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide is O=C1c2nccc(-c3ccccc3NC(=O)C(F)(F)F)c2C(=O)c2ccc(=O)[nH]c21.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide?
The InChIKey is AOLNSOSEKLYMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F3N3O4/c21-20(22,23)19(30)25-12-4-2-1-3-9(12)10-7-8-24-16-14(10)17(28)11-5-6-13(27)26-15(11)18(16)29/h1-8H,(H,25,30)(H,26,27).
What are the key properties of 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide has a molecular weight of 413.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2,5,10-trioxo-1H-pyrido[3,2-g]quinolin-6-yl)phenyl]acetamide is sourced from PubChem (CID 10971685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).