[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate

C25H28N4O6 — CID 50792247

IUPAC[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)ccc1OC(C)=O
InChIInChI=1S/C25H28N4O6/c1-15(30)35-21-9-8-16(12-22(21)34-4)23(31)26-17-13-19-20(28(3)25(33)24(32)27(19)2)14-18(17)29-10-6-5-7-11-29/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,26,31)
InChIKeyRHOVEAAVMLKCFE-UHFFFAOYSA-N
MW480.52 g/mol
LogP2.41
Rot. Bonds5

About [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate

[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate (PubChem CID 50792247) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate
PubChem CID50792247
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)ccc1OC(C)=O
InChIInChI=1S/C25H28N4O6/c1-15(30)35-21-9-8-16(12-22(21)34-4)23(31)26-17-13-19-20(28(3)25(33)24(32)27(19)2)14-18(17)29-10-6-5-7-11-29/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,26,31)
InChIKeyRHOVEAAVMLKCFE-UHFFFAOYSA-N
XLogP2.41
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
2-[(4-acetyloxy-3-methoxybenzoyl)amino]-4-chloro-6-methylbenzoic acid
CID 143409821
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55754662
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)furan-2-carboxamide
CID 22433222
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
CID 168511942
3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 5299498

Frequently Asked Questions

What is the IUPAC name of [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate (CID 50792247) is [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate is COc1cc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)ccc1OC(C)=O.
What is the InChIKey of [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate?
The InChIKey is RHOVEAAVMLKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-15(30)35-21-9-8-16(12-22(21)34-4)23(31)26-17-13-19-20(28(3)25(33)24(32)27(19)2)14-18(17)29-10-6-5-7-11-29/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,26,31).
What are the key properties of [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate?
[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate has a molecular weight of 480.52 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)carbamoyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 50792247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).