5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole

C22H17N3O — CID 162755227

IUPAC5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole
SMILESCc1c2ccncc2cc2c3cc(Oc4ccncc4)ccc3n(C)c12
InChIInChI=1S/C22H17N3O/c1-14-18-7-10-24-13-15(18)11-20-19-12-17(26-16-5-8-23-9-6-16)3-4-21(19)25(2)22(14)20/h3-13H,1-2H3
InChIKeyMQEQLSATIVAOEV-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.38
Rot. Bonds2

About 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole

5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole (PubChem CID 162755227) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole.

Molecular Properties

Compound Name5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole
PubChem CID162755227
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole
SMILESCc1c2ccncc2cc2c3cc(Oc4ccncc4)ccc3n(C)c12
InChIInChI=1S/C22H17N3O/c1-14-18-7-10-24-13-15(18)11-20-19-12-17(26-16-5-8-23-9-6-16)3-4-21(19)25(2)22(14)20/h3-13H,1-2H3
InChIKeyMQEQLSATIVAOEV-UHFFFAOYSA-N
XLogP5.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole?
The IUPAC name of 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole (CID 162755227) is 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole.
What is the SMILES notation for 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole?
The canonical SMILES for 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole is Cc1c2ccncc2cc2c3cc(Oc4ccncc4)ccc3n(C)c12.
What is the InChIKey of 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole?
The InChIKey is MQEQLSATIVAOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-14-18-7-10-24-13-15(18)11-20-19-12-17(26-16-5-8-23-9-6-16)3-4-21(19)25(2)22(14)20/h3-13H,1-2H3.
What are the key properties of 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole?
5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole has a molecular weight of 339.40 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole is sourced from PubChem (CID 162755227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).