N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide

C24H21N5O5 — CID 143421436

IUPACN-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide
SMILESCN(C(=O)c1cccc(CNC(=O)c2cnc3ccccc3n2)c1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C24H21N5O5/c1-29(20-9-10-21(31)28-23(20)33)24(34)15-6-4-5-14(16(15)13-30)11-26-22(32)19-12-25-17-7-2-3-8-18(17)27-19/h2-8,12-13,20H,9-11H2,1H3,(H,26,32)(H,28,31,33)
InChIKeyMFCUEWTUGAGHFV-UHFFFAOYSA-N
MW459.46 g/mol
LogP1.25
Rot. Bonds6

About N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide

N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide (PubChem CID 143421436) has the molecular formula C24H21N5O5 and a molecular weight of 459.46 g/mol. Its IUPAC name is N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide
PubChem CID143421436
Molecular FormulaC24H21N5O5
Molecular Weight459.46 g/mol
Exact Mass459.15
IUPAC NameN-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide
SMILESCN(C(=O)c1cccc(CNC(=O)c2cnc3ccccc3n2)c1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C24H21N5O5/c1-29(20-9-10-21(31)28-23(20)33)24(34)15-6-4-5-14(16(15)13-30)11-26-22(32)19-12-25-17-7-2-3-8-18(17)27-19/h2-8,12-13,20H,9-11H2,1H3,(H,26,32)(H,28,31,33)
InChIKeyMFCUEWTUGAGHFV-UHFFFAOYSA-N
XLogP1.25
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide (CID 143421436) is N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide is CN(C(=O)c1cccc(CNC(=O)c2cnc3ccccc3n2)c1C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide?
The InChIKey is MFCUEWTUGAGHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5/c1-29(20-9-10-21(31)28-23(20)33)24(34)15-6-4-5-14(16(15)13-30)11-26-22(32)19-12-25-17-7-2-3-8-18(17)27-19/h2-8,12-13,20H,9-11H2,1H3,(H,26,32)(H,28,31,33).
What are the key properties of N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide?
N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 143421436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).