2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide

C14H14N4O — CID 116675974

IUPAC2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide
SMILESCC(C(=O)Nc1ccc2nccnc2c1)=C1CNC1
InChIInChI=1S/C14H14N4O/c1-9(10-7-15-8-10)14(19)18-11-2-3-12-13(6-11)17-5-4-16-12/h2-6,15H,7-8H2,1H3,(H,18,19)
InChIKeyMGNGWBFOXYQCRM-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.49
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide

2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide (PubChem CID 116675974) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide
PubChem CID116675974
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide
SMILESCC(C(=O)Nc1ccc2nccnc2c1)=C1CNC1
InChIInChI=1S/C14H14N4O/c1-9(10-7-15-8-10)14(19)18-11-2-3-12-13(6-11)17-5-4-16-12/h2-6,15H,7-8H2,1H3,(H,18,19)
InChIKeyMGNGWBFOXYQCRM-UHFFFAOYSA-N
XLogP1.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide (CID 116675974) is 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide is CC(C(=O)Nc1ccc2nccnc2c1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide?
The InChIKey is MGNGWBFOXYQCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(10-7-15-8-10)14(19)18-11-2-3-12-13(6-11)17-5-4-16-12/h2-6,15H,7-8H2,1H3,(H,18,19).
What are the key properties of 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide?
2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide has a molecular weight of 254.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide is sourced from PubChem (CID 116675974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).