N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide

C16H11F3N4O3 — CID 15337736

IUPACN-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide
SMILESNc1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2NC(=O)c1ccccc1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)9-6-11-12(7-10(9)20)23(15(26)14(25)21-11)22-13(24)8-4-2-1-3-5-8/h1-7H,20H2,(H,21,25)(H,22,24)
InChIKeyINMFFOZIZZKQOT-UHFFFAOYSA-N
MW364.28 g/mol
LogP1.67
Rot. Bonds2

About N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide

N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide (PubChem CID 15337736) has the molecular formula C16H11F3N4O3 and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide.

Molecular Properties

Compound NameN-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide
PubChem CID15337736
Molecular FormulaC16H11F3N4O3
Molecular Weight364.28 g/mol
Exact Mass364.08
IUPAC NameN-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide
SMILESNc1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2NC(=O)c1ccccc1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)9-6-11-12(7-10(9)20)23(15(26)14(25)21-11)22-13(24)8-4-2-1-3-5-8/h1-7H,20H2,(H,21,25)(H,22,24)
InChIKeyINMFFOZIZZKQOT-UHFFFAOYSA-N
XLogP1.67
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[4-[(2-methylbenzoyl)amino]-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrole-3-carboxamide
CID 67665383
[2,3-dioxo-7-(1-phenylethyl)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid
CID 142635809
[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 10849266
N-benzyl-3-[7-(2,5-dimethylpyrrol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanamide
CID 22097054
2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile
CID 19421405
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide
CID 23156815
N-[6-amino-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide;[1-[3-(methanesulfonamido)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-6-yl]pyrrol-3-yl]methyl acetate
CID 158833174
2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
CID 133054559
1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 19858165
1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide
CID 24536906

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide?
The IUPAC name of N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide (CID 15337736) is N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide.
What is the SMILES notation for N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide?
The canonical SMILES for N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide is Nc1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2NC(=O)c1ccccc1.
What is the InChIKey of N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide?
The InChIKey is INMFFOZIZZKQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3/c17-16(18,19)9-6-11-12(7-10(9)20)23(15(26)14(25)21-11)22-13(24)8-4-2-1-3-5-8/h1-7H,20H2,(H,21,25)(H,22,24).
What are the key properties of N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide?
N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide has a molecular weight of 364.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide is sourced from PubChem (CID 15337736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).