5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide

C20H11BrN4O2 — CID 135840801

IUPAC5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide
SMILESO=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C20H11BrN4O2/c21-16-10-9-15(27-16)20(26)25-24-18-12-6-2-1-5-11(12)17-19(18)23-14-8-4-3-7-13(14)22-17/h1-10,23H/b25-24+
InChIKeyPPOBYRXIAZPHRE-OCOZRVBESA-N
MW419.24 g/mol
LogP6.10
Rot. Bonds2

About 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide

5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide (PubChem CID 135840801) has the molecular formula C20H11BrN4O2 and a molecular weight of 419.24 g/mol. Its IUPAC name is 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide
PubChem CID135840801
Molecular FormulaC20H11BrN4O2
Molecular Weight419.24 g/mol
Exact Mass418.01
IUPAC Name5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide
SMILESO=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C20H11BrN4O2/c21-16-10-9-15(27-16)20(26)25-24-18-12-6-2-1-5-11(12)17-19(18)23-14-8-4-3-7-13(14)22-17/h1-10,23H/b25-24+
InChIKeyPPOBYRXIAZPHRE-OCOZRVBESA-N
XLogP6.10
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.24
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide (CID 135840801) is 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide is O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide?
The InChIKey is PPOBYRXIAZPHRE-OCOZRVBESA-N. The full InChI is InChI=1S/C20H11BrN4O2/c21-16-10-9-15(27-16)20(26)25-24-18-12-6-2-1-5-11(12)17-19(18)23-14-8-4-3-7-13(14)22-17/h1-10,23H/b25-24+.
What are the key properties of 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide?
5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide has a molecular weight of 419.24 g/mol, XLogP of 6.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide is sourced from PubChem (CID 135840801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).