2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole

C22H14N6O — CID 139228830

IUPAC2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(Cn3c4ccccc4c4nc5ccccc5nc43)o2)c1
InChIInChI=1S/C22H14N6O/c1-4-10-18-15(7-1)20-21(25-17-9-3-2-8-16(17)24-20)28(18)13-19-26-27-22(29-19)14-6-5-11-23-12-14/h1-12H,13H2
InChIKeyMPWBNZUECDUDEJ-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.23
Rot. Bonds3

About 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole

2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 139228830) has the molecular formula C22H14N6O and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID139228830
Molecular FormulaC22H14N6O
Molecular Weight378.40 g/mol
Exact Mass378.12
IUPAC Name2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(Cn3c4ccccc4c4nc5ccccc5nc43)o2)c1
InChIInChI=1S/C22H14N6O/c1-4-10-18-15(7-1)20-21(25-17-9-3-2-8-16(17)24-20)28(18)13-19-26-27-22(29-19)14-6-5-11-23-12-14/h1-12H,13H2
InChIKeyMPWBNZUECDUDEJ-UHFFFAOYSA-N
XLogP4.23
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 139228830) is 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc(Cn3c4ccccc4c4nc5ccccc5nc43)o2)c1.
What is the InChIKey of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is MPWBNZUECDUDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6O/c1-4-10-18-15(7-1)20-21(25-17-9-3-2-8-16(17)24-20)28(18)13-19-26-27-22(29-19)14-6-5-11-23-12-14/h1-12H,13H2.
What are the key properties of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 378.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 139228830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).