phenyl quinoxaline-6-carboxylate

C15H10N2O2 — CID 645032

IUPACphenyl quinoxaline-6-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H10N2O2/c18-15(19-12-4-2-1-3-5-12)11-6-7-13-14(10-11)17-9-8-16-13/h1-10H
InChIKeyUEQNCAKZYBRWBL-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.85
Rot. Bonds2

About phenyl quinoxaline-6-carboxylate

phenyl quinoxaline-6-carboxylate (PubChem CID 645032) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is phenyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Namephenyl quinoxaline-6-carboxylate
PubChem CID645032
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Namephenyl quinoxaline-6-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H10N2O2/c18-15(19-12-4-2-1-3-5-12)11-6-7-13-14(10-11)17-9-8-16-13/h1-10H
InChIKeyUEQNCAKZYBRWBL-UHFFFAOYSA-N
XLogP2.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.85
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 phenyl quinoxaline-6-carboxylate?
The IUPAC name of phenyl quinoxaline-6-carboxylate (CID 645032) is phenyl quinoxaline-6-carboxylate.
What is the SMILES notation for phenyl quinoxaline-6-carboxylate?
The canonical SMILES for phenyl quinoxaline-6-carboxylate is O=C(Oc1ccccc1)c1ccc2nccnc2c1.
What is the InChIKey of phenyl quinoxaline-6-carboxylate?
The InChIKey is UEQNCAKZYBRWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15(19-12-4-2-1-3-5-12)11-6-7-13-14(10-11)17-9-8-16-13/h1-10H.
What are the key properties of phenyl quinoxaline-6-carboxylate?
phenyl quinoxaline-6-carboxylate has a molecular weight of 250.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl quinoxaline-6-carboxylate is sourced from PubChem (CID 645032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).