8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine

C22H23N7O2 — CID 156673200

IUPAC8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESCc1nc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)ccc1-c1nnco1
InChIInChI=1S/C22H23N7O2/c1-13-17(22-29-26-12-30-22)6-7-20(27-13)28-15-2-4-16(5-3-15)31-19-11-14(23)10-18-21(19)25-9-8-24-18/h6-12,15-16H,2-5,23H2,1H3,(H,27,28)
InChIKeyLZXPCIMGQUNDGU-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.77
Rot. Bonds5

About 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine

8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine (PubChem CID 156673200) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine.

Molecular Properties

Compound Name8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine
PubChem CID156673200
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESCc1nc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)ccc1-c1nnco1
InChIInChI=1S/C22H23N7O2/c1-13-17(22-29-26-12-30-22)6-7-20(27-13)28-15-2-4-16(5-3-15)31-19-11-14(23)10-18-21(19)25-9-8-24-18/h6-12,15-16H,2-5,23H2,1H3,(H,27,28)
InChIKeyLZXPCIMGQUNDGU-UHFFFAOYSA-N
XLogP3.77
TPSA124.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine?
The IUPAC name of 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine (CID 156673200) is 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine.
What is the SMILES notation for 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine?
The canonical SMILES for 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine is Cc1nc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)ccc1-c1nnco1.
What is the InChIKey of 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine?
The InChIKey is LZXPCIMGQUNDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-13-17(22-29-26-12-30-22)6-7-20(27-13)28-15-2-4-16(5-3-15)31-19-11-14(23)10-18-21(19)25-9-8-24-18/h6-12,15-16H,2-5,23H2,1H3,(H,27,28).
What are the key properties of 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine?
8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine has a molecular weight of 417.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine is sourced from PubChem (CID 156673200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).