N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide

C20H16N4O2 — CID 90551692

IUPACN-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H16N4O2/c1-14(25)23-16-10-8-15(9-11-16)5-4-12-21-20(26)19-13-22-17-6-2-3-7-18(17)24-19/h2-3,6-11,13H,12H2,1H3,(H,21,26)(H,23,25)
InChIKeySNGQSEYJUVTORW-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.37
Rot. Bonds3

About N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide

N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide (PubChem CID 90551692) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide
PubChem CID90551692
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H16N4O2/c1-14(25)23-16-10-8-15(9-11-16)5-4-12-21-20(26)19-13-22-17-6-2-3-7-18(17)24-19/h2-3,6-11,13H,12H2,1H3,(H,21,26)(H,23,25)
InChIKeySNGQSEYJUVTORW-UHFFFAOYSA-N
XLogP2.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552518
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552242
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90551553
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide
CID 90551472
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90551510
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide
CID 90551479
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide (CID 90551692) is N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide is CC(=O)Nc1ccc(C#CCNC(=O)c2cnc3ccccc3n2)cc1.
What is the InChIKey of N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide?
The InChIKey is SNGQSEYJUVTORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-14(25)23-16-10-8-15(9-11-16)5-4-12-21-20(26)19-13-22-17-6-2-3-7-18(17)24-19/h2-3,6-11,13H,12H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide?
N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 90551692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).