N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide

C21H17N5O2 — CID 90552518

IUPACN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
SMILESO=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C21H17N5O2/c27-20(19-14-24-17-5-1-2-6-18(17)25-19)22-11-3-4-15-7-9-16(10-8-15)26-13-12-23-21(26)28/h1-2,5-10,14H,11-13H2,(H,22,27)(H,23,28)
InChIKeyZOMFEKPKPZLXPH-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.94
Rot. Bonds3

About N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide

N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide (PubChem CID 90552518) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
PubChem CID90552518
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
SMILESO=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C21H17N5O2/c27-20(19-14-24-17-5-1-2-6-18(17)25-19)22-11-3-4-15-7-9-16(10-8-15)26-13-12-23-21(26)28/h1-2,5-10,14H,11-13H2,(H,22,27)(H,23,28)
InChIKeyZOMFEKPKPZLXPH-UHFFFAOYSA-N
XLogP1.94
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide (CID 90552518) is N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide is O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1cnc2ccccc2n1.
What is the InChIKey of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide?
The InChIKey is ZOMFEKPKPZLXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-20(19-14-24-17-5-1-2-6-18(17)25-19)22-11-3-4-15-7-9-16(10-8-15)26-13-12-23-21(26)28/h1-2,5-10,14H,11-13H2,(H,22,27)(H,23,28).
What are the key properties of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide?
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 90552518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).