N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide

C15H9Br2N3O2 — CID 2311190

IUPACN-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide
SMILESO=C(NN=Cc1cc(Br)c(Br)o1)c1ccc2ccccc2n1
InChIInChI=1S/C15H9Br2N3O2/c16-11-7-10(22-14(11)17)8-18-20-15(21)13-6-5-9-3-1-2-4-12(9)19-13/h1-8H,(H,20,21)
InChIKeyBCPFAMAALQJUFN-UHFFFAOYSA-N
MW423.06 g/mol
LogP4.12
Rot. Bonds3

About N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide

N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide (PubChem CID 2311190) has the molecular formula C15H9Br2N3O2 and a molecular weight of 423.06 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide
PubChem CID2311190
Molecular FormulaC15H9Br2N3O2
Molecular Weight423.06 g/mol
Exact Mass420.91
IUPAC NameN-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide
SMILESO=C(NN=Cc1cc(Br)c(Br)o1)c1ccc2ccccc2n1
InChIInChI=1S/C15H9Br2N3O2/c16-11-7-10(22-14(11)17)8-18-20-15(21)13-6-5-9-3-1-2-4-12(9)19-13/h1-8H,(H,20,21)
InChIKeyBCPFAMAALQJUFN-UHFFFAOYSA-N
XLogP4.12
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.06
LogP ≤ 54.12
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

N-[(E)-pyridin-4-ylmethylideneamino]quinoline-2-carboxamide
CID 6906634
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5332613
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 1034854
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]quinoline-2-carboxamide
CID 42994985
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 1237546
N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide
CID 177489963
[2-(4-bromobenzoyl)oxy-4-[(E)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 56698301
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
CID 4675138
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide
CID 3438844
N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 9499718

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide (CID 2311190) is N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide is O=C(NN=Cc1cc(Br)c(Br)o1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide?
The InChIKey is BCPFAMAALQJUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2N3O2/c16-11-7-10(22-14(11)17)8-18-20-15(21)13-6-5-9-3-1-2-4-12(9)19-13/h1-8H,(H,20,21).
What are the key properties of N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide?
N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide has a molecular weight of 423.06 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 2311190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).