(2,4-dichlorophenyl) quinoxaline-6-carboxylate

C15H8Cl2N2O2 — CID 2983058

IUPAC(2,4-dichlorophenyl) quinoxaline-6-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1ccc2nccnc2c1
InChIInChI=1S/C15H8Cl2N2O2/c16-10-2-4-14(11(17)8-10)21-15(20)9-1-3-12-13(7-9)19-6-5-18-12/h1-8H
InChIKeyPGMAUUQBSRXNIY-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.16
Rot. Bonds2

About (2,4-dichlorophenyl) quinoxaline-6-carboxylate

(2,4-dichlorophenyl) quinoxaline-6-carboxylate (PubChem CID 2983058) has the molecular formula C15H8Cl2N2O2 and a molecular weight of 319.15 g/mol. Its IUPAC name is (2,4-dichlorophenyl) quinoxaline-6-carboxylate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) quinoxaline-6-carboxylate
PubChem CID2983058
Molecular FormulaC15H8Cl2N2O2
Molecular Weight319.15 g/mol
Exact Mass318.00
IUPAC Name(2,4-dichlorophenyl) quinoxaline-6-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1ccc2nccnc2c1
InChIInChI=1S/C15H8Cl2N2O2/c16-10-2-4-14(11(17)8-10)21-15(20)9-1-3-12-13(7-9)19-6-5-18-12/h1-8H
InChIKeyPGMAUUQBSRXNIY-UHFFFAOYSA-N
XLogP4.16
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.16
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 (2,4-dichlorophenyl) quinoxaline-6-carboxylate?
The IUPAC name of (2,4-dichlorophenyl) quinoxaline-6-carboxylate (CID 2983058) is (2,4-dichlorophenyl) quinoxaline-6-carboxylate.
What is the SMILES notation for (2,4-dichlorophenyl) quinoxaline-6-carboxylate?
The canonical SMILES for (2,4-dichlorophenyl) quinoxaline-6-carboxylate is O=C(Oc1ccc(Cl)cc1Cl)c1ccc2nccnc2c1.
What is the InChIKey of (2,4-dichlorophenyl) quinoxaline-6-carboxylate?
The InChIKey is PGMAUUQBSRXNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2/c16-10-2-4-14(11(17)8-10)21-15(20)9-1-3-12-13(7-9)19-6-5-18-12/h1-8H.
What are the key properties of (2,4-dichlorophenyl) quinoxaline-6-carboxylate?
(2,4-dichlorophenyl) quinoxaline-6-carboxylate has a molecular weight of 319.15 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) quinoxaline-6-carboxylate is sourced from PubChem (CID 2983058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).