N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide

C20H10F3N3O3 — CID 10475902

IUPACN-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C1c2ccncc2C(=O)c2c(-c3ccccc3NC(=O)C(F)(F)F)ccnc21
InChIInChI=1S/C20H10F3N3O3/c21-20(22,23)19(29)26-14-4-2-1-3-10(14)11-6-8-25-16-15(11)17(27)13-9-24-7-5-12(13)18(16)28/h1-9H,(H,26,29)
InChIKeyCHQQVSVOUCLHOY-UHFFFAOYSA-N
MW397.31 g/mol
LogP3.42
Rot. Bonds2

About N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide

N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 10475902) has the molecular formula C20H10F3N3O3 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID10475902
Molecular FormulaC20H10F3N3O3
Molecular Weight397.31 g/mol
Exact Mass397.07
IUPAC NameN-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C1c2ccncc2C(=O)c2c(-c3ccccc3NC(=O)C(F)(F)F)ccnc21
InChIInChI=1S/C20H10F3N3O3/c21-20(22,23)19(29)26-14-4-2-1-3-10(14)11-6-8-25-16-15(11)17(27)13-9-24-7-5-12(13)18(16)28/h1-9H,(H,26,29)
InChIKeyCHQQVSVOUCLHOY-UHFFFAOYSA-N
XLogP3.42
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
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 N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide (CID 10475902) is N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide is O=C1c2ccncc2C(=O)c2c(-c3ccccc3NC(=O)C(F)(F)F)ccnc21.
What is the InChIKey of N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is CHQQVSVOUCLHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F3N3O3/c21-20(22,23)19(29)26-14-4-2-1-3-10(14)11-6-8-25-16-15(11)17(27)13-9-24-7-5-12(13)18(16)28/h1-9H,(H,26,29).
What are the key properties of N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 397.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10475902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).