N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide

C13H12N4O — CID 1223964

IUPACN-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
SMILESO=C(NN=Cc1cnc2ccccc2n1)C1CC1
InChIInChI=1S/C13H12N4O/c18-13(9-5-6-9)17-15-8-10-7-14-11-3-1-2-4-12(11)16-10/h1-4,7-9H,5-6H2,(H,17,18)
InChIKeyIEEXWZQRPJJOTN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.49
Rot. Bonds3

About N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide

N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide (PubChem CID 1223964) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
PubChem CID1223964
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
SMILESO=C(NN=Cc1cnc2ccccc2n1)C1CC1
InChIInChI=1S/C13H12N4O/c18-13(9-5-6-9)17-15-8-10-7-14-11-3-1-2-4-12(11)16-10/h1-4,7-9H,5-6H2,(H,17,18)
InChIKeyIEEXWZQRPJJOTN-UHFFFAOYSA-N
XLogP1.49
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9034461
1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea
CID 9216690
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482
2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9214964
N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
CID 9352105
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide
CID 8983406
2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
CID 6871314
2-methoxy-N-(quinoxalin-2-ylmethylideneamino)benzamide
CID 821630

Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide?
The IUPAC name of N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide (CID 1223964) is N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide.
What is the SMILES notation for N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide?
The canonical SMILES for N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide is O=C(NN=Cc1cnc2ccccc2n1)C1CC1.
What is the InChIKey of N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide?
The InChIKey is IEEXWZQRPJJOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(9-5-6-9)17-15-8-10-7-14-11-3-1-2-4-12(11)16-10/h1-4,7-9H,5-6H2,(H,17,18).
What are the key properties of N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide?
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide is sourced from PubChem (CID 1223964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).