1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea

C16H13N5O — CID 9243242

IUPAC1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
SMILESO=C(N/N=C\c1cnc2ccccc2n1)Nc1ccccc1
InChIInChI=1S/C16H13N5O/c22-16(20-12-6-2-1-3-7-12)21-18-11-13-10-17-14-8-4-5-9-15(14)19-13/h1-11H,(H2,20,21,22)/b18-11-
InChIKeyMNSVGVUPULBBAK-WQRHYEAKSA-N
MW291.31 g/mol
LogP2.79
Rot. Bonds3

About 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea

1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea (PubChem CID 9243242) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
PubChem CID9243242
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
SMILESO=C(N/N=C\c1cnc2ccccc2n1)Nc1ccccc1
InChIInChI=1S/C16H13N5O/c22-16(20-12-6-2-1-3-7-12)21-18-11-13-10-17-14-8-4-5-9-15(14)19-13/h1-11H,(H2,20,21,22)/b18-11-
InChIKeyMNSVGVUPULBBAK-WQRHYEAKSA-N
XLogP2.79
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
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
4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid
CID 3363664
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9034461
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
1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea
CID 6052342
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482
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 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea?
The IUPAC name of 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea (CID 9243242) is 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea.
What is the SMILES notation for 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea?
The canonical SMILES for 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea is O=C(N/N=C\c1cnc2ccccc2n1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea?
The InChIKey is MNSVGVUPULBBAK-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H13N5O/c22-16(20-12-6-2-1-3-7-12)21-18-11-13-10-17-14-8-4-5-9-15(14)19-13/h1-11H,(H2,20,21,22)/b18-11-.
What are the key properties of 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea?
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea has a molecular weight of 291.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea is sourced from PubChem (CID 9243242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).