N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

C17H13ClFN3O3 — CID 26365670

IUPACN-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C17H13ClFN3O3/c1-2-22-14-6-3-9(7-13(14)21-16(24)17(22)25)15(23)20-10-4-5-12(19)11(18)8-10/h3-8H,2H2,1H3,(H,20,23)(H,21,24)
InChIKeyNPFNNJDMLHQTCJ-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.75
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 26365670) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID26365670
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C17H13ClFN3O3/c1-2-22-14-6-3-9(7-13(14)21-16(24)17(22)25)15(23)20-10-4-5-12(19)11(18)8-10/h3-8H,2H2,1H3,(H,20,23)(H,21,24)
InChIKeyNPFNNJDMLHQTCJ-UHFFFAOYSA-N
XLogP2.75
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26584443
N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26620345
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40891158
N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide
CID 43009142
N-[1-(4-chlorophenyl)propyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 17441845
1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 30859500
1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 46417026
N-(3-chloro-4-fluorophenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4245438
1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24613478
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24575712
N-[3-(4-bromoanilino)-3-oxopropyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 60552253

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 26365670) is N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is NPFNNJDMLHQTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-2-22-14-6-3-9(7-13(14)21-16(24)17(22)25)15(23)20-10-4-5-12(19)11(18)8-10/h3-8H,2H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 361.76 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 26365670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).