N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide

C20H18N4O — CID 90552242

IUPACN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
SMILESCN(C)c1ccccc1C#CCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C20H18N4O/c1-24(2)19-12-6-3-8-15(19)9-7-13-21-20(25)18-14-22-16-10-4-5-11-17(16)23-18/h3-6,8,10-12,14H,13H2,1-2H3,(H,21,25)
InChIKeyCXDRTFWESJCPSE-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.48
Rot. Bonds3

About N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide (PubChem CID 90552242) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
PubChem CID90552242
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
SMILESCN(C)c1ccccc1C#CCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C20H18N4O/c1-24(2)19-12-6-3-8-15(19)9-7-13-21-20(25)18-14-22-16-10-4-5-11-17(16)23-18/h3-6,8,10-12,14H,13H2,1-2H3,(H,21,25)
InChIKeyCXDRTFWESJCPSE-UHFFFAOYSA-N
XLogP2.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90552032
N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide
CID 90551692
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide
CID 90552151
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide
CID 90552148
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide
CID 90552098
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2,2-dimethylpropanamide
CID 90552074
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 90552025
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552518
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
4-(diethylsulfamoyl)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]benzamide
CID 90552189
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
CID 90552073
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide (CID 90552242) is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide is CN(C)c1ccccc1C#CCNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide?
The InChIKey is CXDRTFWESJCPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24(2)19-12-6-3-8-15(19)9-7-13-21-20(25)18-14-22-16-10-4-5-11-17(16)23-18/h3-6,8,10-12,14H,13H2,1-2H3,(H,21,25).
What are the key properties of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide?
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 90552242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).