N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide

C20H14F3N3O4 — CID 10873446

IUPACN-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCNC(=O)C(F)(F)F)c1ccccc1NC1=CC(=O)c2ncccc2C1=O
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)19(30)25-9-7-15(27)11-4-1-2-6-13(11)26-14-10-16(28)17-12(18(14)29)5-3-8-24-17/h1-6,8,10,26H,7,9H2,(H,25,30)
InChIKeyIOTVKRRPEPVFKQ-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.71
Rot. Bonds6

About N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide

N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide (PubChem CID 10873446) has the molecular formula C20H14F3N3O4 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide
PubChem CID10873446
Molecular FormulaC20H14F3N3O4
Molecular Weight417.34 g/mol
Exact Mass417.09
IUPAC NameN-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCNC(=O)C(F)(F)F)c1ccccc1NC1=CC(=O)c2ncccc2C1=O
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)19(30)25-9-7-15(27)11-4-1-2-6-13(11)26-14-10-16(28)17-12(18(14)29)5-3-8-24-17/h1-6,8,10,26H,7,9H2,(H,25,30)
InChIKeyIOTVKRRPEPVFKQ-UHFFFAOYSA-N
XLogP2.71
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide
CID 15757688
N-[2-(1,4-dioxonaphthalen-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 102308505
N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 10475902
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537618
N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]-2,2,2-trifluoroacetamide
CID 162537495
7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione
CID 57329211
3-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoylamino]propanoic acid
CID 122007372
tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate
CID 10937100
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
7-(prop-1-en-2-ylamino)quinoline-5,8-dione
CID 146506137
bis(chloromethyl) pyridine-2,3-dicarboxylate
CID 139369418

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide (CID 10873446) is N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide is O=C(CCNC(=O)C(F)(F)F)c1ccccc1NC1=CC(=O)c2ncccc2C1=O.
What is the InChIKey of N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide?
The InChIKey is IOTVKRRPEPVFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4/c21-20(22,23)19(30)25-9-7-15(27)11-4-1-2-6-13(11)26-14-10-16(28)17-12(18(14)29)5-3-8-24-17/h1-6,8,10,26H,7,9H2,(H,25,30).
What are the key properties of N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide?
N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide has a molecular weight of 417.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10873446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).