4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide

C14H10BrN5O — CID 8983406

IUPAC4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\c1cnc2ccccc2n1)c1cc(Br)c[nH]1
InChIInChI=1S/C14H10BrN5O/c15-9-5-13(16-6-9)14(21)20-18-8-10-7-17-11-3-1-2-4-12(11)19-10/h1-8,16H,(H,20,21)/b18-8-
InChIKeyQPDBDMDSKSKENL-LSCVHKIXSA-N
MW344.17 g/mol
LogP2.48
Rot. Bonds3

About 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide

4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 8983406) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID8983406
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC Name4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\c1cnc2ccccc2n1)c1cc(Br)c[nH]1
InChIInChI=1S/C14H10BrN5O/c15-9-5-13(16-6-9)14(21)20-18-8-10-7-17-11-3-1-2-4-12(11)19-10/h1-8,16H,(H,20,21)/b18-8-
InChIKeyQPDBDMDSKSKENL-LSCVHKIXSA-N
XLogP2.48
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.48
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

N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9034461
2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9214964
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
2-methoxy-N-(quinoxalin-2-ylmethylideneamino)benzamide
CID 821630
2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
CID 6871314
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242
2-[2-[(Z)-[(4-bromo-1H-pyrrole-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 8982713
4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983110
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide (CID 8983406) is 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide is O=C(N/N=C\c1cnc2ccccc2n1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is QPDBDMDSKSKENL-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H10BrN5O/c15-9-5-13(16-6-9)14(21)20-18-8-10-7-17-11-3-1-2-4-12(11)19-10/h1-8,16H,(H,20,21)/b18-8-.
What are the key properties of 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 344.17 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8983406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).