N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide

C22H24N4O4 — CID 50791877

IUPACN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C22H24N4O4/c1-24-18-12-16(23-20(27)14-6-8-15(30-3)9-7-14)17(26-10-4-5-11-26)13-19(18)25(2)22(29)21(24)28/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,27)
InChIKeyVIDRNMKHILKFFW-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.10
Rot. Bonds4

About N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide

N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide (PubChem CID 50791877) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
PubChem CID50791877
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C22H24N4O4/c1-24-18-12-16(23-20(27)14-6-8-15(30-3)9-7-14)17(26-10-4-5-11-26)13-19(18)25(2)22(29)21(24)28/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,27)
InChIKeyVIDRNMKHILKFFW-UHFFFAOYSA-N
XLogP2.10
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate
CID 50792247
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
methyl 3-[(4-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6456963
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)furan-2-carboxamide
CID 22433222
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 110361913
2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide
CID 22433047
4-fluoro-N-[3-[(4-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326630
N-(6-methoxy-1-methyl-2-oxoquinolin-3-yl)benzamide
CID 101228890
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide (CID 50791877) is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide?
The InChIKey is VIDRNMKHILKFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-24-18-12-16(23-20(27)14-6-8-15(30-3)9-7-14)17(26-10-4-5-11-26)13-19(18)25(2)22(29)21(24)28/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,27).
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide?
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide has a molecular weight of 408.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide is sourced from PubChem (CID 50791877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).