N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide

C17H12N4O3 — CID 113195702

IUPACN-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C17H12N4O3/c18-9-11-4-3-5-12(8-11)19-15(22)10-21-14-7-2-1-6-13(14)20-16(23)17(21)24/h1-8H,10H2,(H,19,22)(H,20,23)
InChIKeyOVCFOLANQNOLRG-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.20
Rot. Bonds3

About N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide

N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide (PubChem CID 113195702) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
PubChem CID113195702
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC NameN-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C17H12N4O3/c18-9-11-4-3-5-12(8-11)19-15(22)10-21-14-7-2-1-6-13(14)20-16(23)17(21)24/h1-8H,10H2,(H,19,22)(H,20,23)
InChIKeyOVCFOLANQNOLRG-UHFFFAOYSA-N
XLogP1.20
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113195705
N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 40671948
N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(2,3-dioxo-4H-quinoxalin-1-yl)acetonitrile
CID 19827841
N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide
CID 4784969
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
N-(3-cyanophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331282
N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195699
N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390170

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide (CID 113195702) is N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide is N#Cc1cccc(NC(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The InChIKey is OVCFOLANQNOLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c18-9-11-4-3-5-12(8-11)19-15(22)10-21-14-7-2-1-6-13(14)20-16(23)17(21)24/h1-8H,10H2,(H,19,22)(H,20,23).
What are the key properties of N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide is sourced from PubChem (CID 113195702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).