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

C16H10Cl2N2O2 — CID 7677110

IUPAC(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1ccc2nccnc2c1
InChIInChI=1S/C16H10Cl2N2O2/c17-12-2-1-3-13(18)11(12)9-22-16(21)10-4-5-14-15(8-10)20-7-6-19-14/h1-8H,9H2
InChIKeyVWMNVHMTFNYGNY-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.29
Rot. Bonds3

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

(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate (PubChem CID 7677110) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
PubChem CID7677110
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1ccc2nccnc2c1
InChIInChI=1S/C16H10Cl2N2O2/c17-12-2-1-3-13(18)11(12)9-22-16(21)10-4-5-14-15(8-10)20-7-6-19-14/h1-8H,9H2
InChIKeyVWMNVHMTFNYGNY-UHFFFAOYSA-N
XLogP4.29
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate?
The IUPAC name of (2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate (CID 7677110) is (2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate?
The canonical SMILES for (2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate is O=C(OCc1c(Cl)cccc1Cl)c1ccc2nccnc2c1.
What is the InChIKey of (2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate?
The InChIKey is VWMNVHMTFNYGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-12-2-1-3-13(18)11(12)9-22-16(21)10-4-5-14-15(8-10)20-7-6-19-14/h1-8H,9H2.
What are the key properties of (2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate?
(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate has a molecular weight of 333.17 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate is sourced from PubChem (CID 7677110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).