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

C22H19N3O6 — CID 46341405

IUPACN-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide
SMILESCOc1ccc(Oc2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C22H19N3O6/c1-24-16-11-15(23-20(26)18-5-4-10-30-18)19(12-17(16)25(2)22(28)21(24)27)31-14-8-6-13(29-3)7-9-14/h4-12H,1-3H3,(H,23,26)
InChIKeyXNSPSVHAFIUHPZ-UHFFFAOYSA-N
MW421.41 g/mol
LogP2.88
Rot. Bonds5

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

N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide (PubChem CID 46341405) has the molecular formula C22H19N3O6 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide
PubChem CID46341405
Molecular FormulaC22H19N3O6
Molecular Weight421.41 g/mol
Exact Mass421.13
IUPAC NameN-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide
SMILESCOc1ccc(Oc2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C22H19N3O6/c1-24-16-11-15(23-20(26)18-5-4-10-30-18)19(12-17(16)25(2)22(28)21(24)27)31-14-8-6-13(29-3)7-9-14/h4-12H,1-3H3,(H,23,26)
InChIKeyXNSPSVHAFIUHPZ-UHFFFAOYSA-N
XLogP2.88
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
CID 22433465
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)furan-2-carboxamide
CID 22433222
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)benzamide
CID 50793171
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612
N-[2-[(4-methoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide
CID 25250119
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 16761301
N-[4-methoxy-2-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 9324966
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide?
The IUPAC name of N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide (CID 46341405) is N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide is COc1ccc(Oc2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide?
The InChIKey is XNSPSVHAFIUHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6/c1-24-16-11-15(23-20(26)18-5-4-10-30-18)19(12-17(16)25(2)22(28)21(24)27)31-14-8-6-13(29-3)7-9-14/h4-12H,1-3H3,(H,23,26).
What are the key properties of N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide?
N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 46341405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).