N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide

C25H30N4O4 — CID 15990188

IUPACN-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide
SMILESCCn1c(=O)c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)c3ccccc3OC)cc21
InChIInChI=1S/C25H30N4O4/c1-4-28-20-15-18(26-23(30)17-11-7-8-12-22(17)33-3)19(27-13-9-6-10-14-27)16-21(20)29(5-2)25(32)24(28)31/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,26,30)
InChIKeyYBFBNFUUMPRSPK-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.45
Rot. Bonds6

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

N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide (PubChem CID 15990188) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide
PubChem CID15990188
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide
SMILESCCn1c(=O)c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)c3ccccc3OC)cc21
InChIInChI=1S/C25H30N4O4/c1-4-28-20-15-18(26-23(30)17-11-7-8-12-22(17)33-3)19(27-13-9-6-10-14-27)16-21(20)29(5-2)25(32)24(28)31/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,26,30)
InChIKeyYBFBNFUUMPRSPK-UHFFFAOYSA-N
XLogP3.45
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.45
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-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2965786
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
CID 55548838
2,4-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 6457289
2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 50793038
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881821
N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
CID 178107683
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide?
The IUPAC name of N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide (CID 15990188) is N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide?
The canonical SMILES for N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide is CCn1c(=O)c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)c3ccccc3OC)cc21.
What is the InChIKey of N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide?
The InChIKey is YBFBNFUUMPRSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-4-28-20-15-18(26-23(30)17-11-7-8-12-22(17)33-3)19(27-13-9-6-10-14-27)16-21(20)29(5-2)25(32)24(28)31/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,26,30).
What are the key properties of N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide?
N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide has a molecular weight of 450.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide is sourced from PubChem (CID 15990188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).