1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide

C22H24N4O3 — CID 46417026

IUPAC1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(CN4CCCC4)c3)ccc21
InChIInChI=1S/C22H24N4O3/c1-2-26-19-9-8-16(13-18(19)24-21(28)22(26)29)20(27)23-17-7-5-6-15(12-17)14-25-10-3-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,28)
InChIKeyPHAFOCSASWSWSK-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.56
Rot. Bonds5

About 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide

1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide (PubChem CID 46417026) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
PubChem CID46417026
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(CN4CCCC4)c3)ccc21
InChIInChI=1S/C22H24N4O3/c1-2-26-19-9-8-16(13-18(19)24-21(28)22(26)29)20(27)23-17-7-5-6-15(12-17)14-25-10-3-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,28)
InChIKeyPHAFOCSASWSWSK-UHFFFAOYSA-N
XLogP2.56
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24613478
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-(3-chloro-2-methylphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26584443
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide
CID 43009142
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide (CID 46417026) is 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(CN4CCCC4)c3)ccc21.
What is the InChIKey of 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide?
The InChIKey is PHAFOCSASWSWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-26-19-9-8-16(13-18(19)24-21(28)22(26)29)20(27)23-17-7-5-6-15(12-17)14-25-10-3-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide?
1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 46417026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).