N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C14H16N4O3 — CID 104615124

IUPACN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2cccc3c2NCCN3)C1=O
InChIInChI=1S/C14H16N4O3/c1-18-11(19)7-10(14(18)21)17-13(20)8-3-2-4-9-12(8)16-6-5-15-9/h2-4,10,15-16H,5-7H2,1H3,(H,17,20)
InChIKeyNPBGMVMNNALVAB-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.01
Rot. Bonds2

About N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104615124) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104615124
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2cccc3c2NCCN3)C1=O
InChIInChI=1S/C14H16N4O3/c1-18-11(19)7-10(14(18)21)17-13(20)8-3-2-4-9-12(8)16-6-5-15-9/h2-4,10,15-16H,5-7H2,1H3,(H,17,20)
InChIKeyNPBGMVMNNALVAB-UHFFFAOYSA-N
XLogP0.01
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104615124) is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CN1C(=O)CC(NC(=O)c2cccc3c2NCCN3)C1=O.
What is the InChIKey of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is NPBGMVMNNALVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-18-11(19)7-10(14(18)21)17-13(20)8-3-2-4-9-12(8)16-6-5-15-9/h2-4,10,15-16H,5-7H2,1H3,(H,17,20).
What are the key properties of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104615124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).