3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide

C17H15N3O3 — CID 142206396

IUPAC3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide
SMILESNC(=O)c1cccc2ncc(C3C=CC4=C(C3)OCCO4)nc12
InChIInChI=1S/C17H15N3O3/c18-17(21)11-2-1-3-12-16(11)20-13(9-19-12)10-4-5-14-15(8-10)23-7-6-22-14/h1-5,9-10H,6-8H2,(H2,18,21)
InChIKeyJFUXZJFQTXLTGD-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.03
Rot. Bonds2

About 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide

3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide (PubChem CID 142206396) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide
PubChem CID142206396
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide
SMILESNC(=O)c1cccc2ncc(C3C=CC4=C(C3)OCCO4)nc12
InChIInChI=1S/C17H15N3O3/c18-17(21)11-2-1-3-12-16(11)20-13(9-19-12)10-4-5-14-15(8-10)23-7-6-22-14/h1-5,9-10H,6-8H2,(H2,18,21)
InChIKeyJFUXZJFQTXLTGD-UHFFFAOYSA-N
XLogP2.03
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide?
The IUPAC name of 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide (CID 142206396) is 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide?
The canonical SMILES for 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide is NC(=O)c1cccc2ncc(C3C=CC4=C(C3)OCCO4)nc12.
What is the InChIKey of 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide?
The InChIKey is JFUXZJFQTXLTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-17(21)11-2-1-3-12-16(11)20-13(9-19-12)10-4-5-14-15(8-10)23-7-6-22-14/h1-5,9-10H,6-8H2,(H2,18,21).
What are the key properties of 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide?
3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 142206396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).