N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide

C15H12ClN3O4 — CID 22433465

IUPACN-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
SMILESCn1c(=O)c(=O)n(C)c2cc(NC(=O)c3ccco3)c(Cl)cc21
InChIInChI=1S/C15H12ClN3O4/c1-18-10-6-8(16)9(17-13(20)12-4-3-5-23-12)7-11(10)19(2)15(22)14(18)21/h3-7H,1-2H3,(H,17,20)
InChIKeyJLUWGBRNXFIVBR-UHFFFAOYSA-N
MW333.73 g/mol
LogP1.74
Rot. Bonds2

About N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide

N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide (PubChem CID 22433465) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
PubChem CID22433465
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC NameN-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
SMILESCn1c(=O)c(=O)n(C)c2cc(NC(=O)c3ccco3)c(Cl)cc21
InChIInChI=1S/C15H12ClN3O4/c1-18-10-6-8(16)9(17-13(20)12-4-3-5-23-12)7-11(10)19(2)15(22)14(18)21/h3-7H,1-2H3,(H,17,20)
InChIKeyJLUWGBRNXFIVBR-UHFFFAOYSA-N
XLogP1.74
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide 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-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)furan-2-carboxamide
CID 22433222
N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide
CID 46341405
N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide
CID 4022142
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 661545
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide
CID 50882067
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide
CID 50824815
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
N-[2-chloro-4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]phenyl]furan-2-carboxamide
CID 1136457
N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 60544197

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide?
The IUPAC name of N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide (CID 22433465) is N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide?
The canonical SMILES for N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide is Cn1c(=O)c(=O)n(C)c2cc(NC(=O)c3ccco3)c(Cl)cc21.
What is the InChIKey of N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide?
The InChIKey is JLUWGBRNXFIVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c1-18-10-6-8(16)9(17-13(20)12-4-3-5-23-12)7-11(10)19(2)15(22)14(18)21/h3-7H,1-2H3,(H,17,20).
What are the key properties of N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide?
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide has a molecular weight of 333.73 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 22433465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).