(3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate

C18H14N2O2 — CID 68641487

IUPAC(3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate
SMILESO=C(Oc1cccc(-c2ccc3nccnc3c2)c1)C1CC1
InChIInChI=1S/C18H14N2O2/c21-18(12-4-5-12)22-15-3-1-2-13(10-15)14-6-7-16-17(11-14)20-9-8-19-16/h1-3,6-12H,4-5H2
InChIKeyKNXWZBXTPWMLTO-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.61
Rot. Bonds3

About (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate

(3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate (PubChem CID 68641487) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate
PubChem CID68641487
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate
SMILESO=C(Oc1cccc(-c2ccc3nccnc3c2)c1)C1CC1
InChIInChI=1S/C18H14N2O2/c21-18(12-4-5-12)22-15-3-1-2-13(10-15)14-6-7-16-17(11-14)20-9-8-19-16/h1-3,6-12H,4-5H2
InChIKeyKNXWZBXTPWMLTO-UHFFFAOYSA-N
XLogP3.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate?
The IUPAC name of (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate (CID 68641487) is (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate.
What is the SMILES notation for (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate?
The canonical SMILES for (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate is O=C(Oc1cccc(-c2ccc3nccnc3c2)c1)C1CC1.
What is the InChIKey of (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate?
The InChIKey is KNXWZBXTPWMLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-18(12-4-5-12)22-15-3-1-2-13(10-15)14-6-7-16-17(11-14)20-9-8-19-16/h1-3,6-12H,4-5H2.
What are the key properties of (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate?
(3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate has a molecular weight of 290.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate is sourced from PubChem (CID 68641487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).