1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline

C15H16N4 — CID 19779063

IUPAC1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline
SMILESC=CCN1CN(CC=C)c2nc3ccccc3nc21
InChIInChI=1S/C15H16N4/c1-3-9-18-11-19(10-4-2)15-14(18)16-12-7-5-6-8-13(12)17-15/h3-8H,1-2,9-11H2
InChIKeyQIQCMLDTLLMBMB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.59
Rot. Bonds4

About 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline

1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 19779063) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID19779063
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline
SMILESC=CCN1CN(CC=C)c2nc3ccccc3nc21
InChIInChI=1S/C15H16N4/c1-3-9-18-11-19(10-4-2)15-14(18)16-12-7-5-6-8-13(12)17-15/h3-8H,1-2,9-11H2
InChIKeyQIQCMLDTLLMBMB-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline (CID 19779063) is 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline is C=CCN1CN(CC=C)c2nc3ccccc3nc21.
What is the InChIKey of 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is QIQCMLDTLLMBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-9-18-11-19(10-4-2)15-14(18)16-12-7-5-6-8-13(12)17-15/h3-8H,1-2,9-11H2.
What are the key properties of 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline?
1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 252.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 19779063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).