2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline

C19H16N4O — CID 943197

IUPAC2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline
SMILESC=CCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21
InChIInChI=1S/C19H16N4O/c1-3-11-23-18(13-7-6-8-14(12-13)24-2)22-17-19(23)21-16-10-5-4-9-15(16)20-17/h3-10,12H,1,11H2,2H3
InChIKeyKNOKDCYSVKCKSB-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.84
Rot. Bonds4

About 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline

2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline (PubChem CID 943197) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline
PubChem CID943197
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline
SMILESC=CCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21
InChIInChI=1S/C19H16N4O/c1-3-11-23-18(13-7-6-8-14(12-13)24-2)22-17-19(23)21-16-10-5-4-9-15(16)20-17/h3-10,12H,1,11H2,2H3
InChIKeyKNOKDCYSVKCKSB-UHFFFAOYSA-N
XLogP3.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline?
The IUPAC name of 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline (CID 943197) is 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline is C=CCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21.
What is the InChIKey of 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline?
The InChIKey is KNOKDCYSVKCKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-3-11-23-18(13-7-6-8-14(12-13)24-2)22-17-19(23)21-16-10-5-4-9-15(16)20-17/h3-10,12H,1,11H2,2H3.
What are the key properties of 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline?
2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline has a molecular weight of 316.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-prop-2-enylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 943197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).