5-methoxyindolo[2,3-a]carbazole-6-carbonitrile

C20H11N3O — CID 21121440

IUPAC5-methoxyindolo[2,3-a]carbazole-6-carbonitrile
SMILESCOc1c(C#N)c2c(c3c1-c1ccccc1N=3)=Nc1ccccc1-2
InChIInChI=1S/C20H11N3O/c1-24-20-13(10-21)16-11-6-2-4-8-14(11)22-18(16)19-17(20)12-7-3-5-9-15(12)23-19/h2-9H,1H3
InChIKeyRDDOSCZPCHSCJF-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.43
Rot. Bonds1

About 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile

5-methoxyindolo[2,3-a]carbazole-6-carbonitrile (PubChem CID 21121440) has the molecular formula C20H11N3O and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile.

Molecular Properties

Compound Name5-methoxyindolo[2,3-a]carbazole-6-carbonitrile
PubChem CID21121440
Molecular FormulaC20H11N3O
Molecular Weight309.33 g/mol
Exact Mass309.09
IUPAC Name5-methoxyindolo[2,3-a]carbazole-6-carbonitrile
SMILESCOc1c(C#N)c2c(c3c1-c1ccccc1N=3)=Nc1ccccc1-2
InChIInChI=1S/C20H11N3O/c1-24-20-13(10-21)16-11-6-2-4-8-14(11)22-18(16)19-17(20)12-7-3-5-9-15(12)23-19/h2-9H,1H3
InChIKeyRDDOSCZPCHSCJF-UHFFFAOYSA-N
XLogP3.43
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile?
The IUPAC name of 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile (CID 21121440) is 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile.
What is the SMILES notation for 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile?
The canonical SMILES for 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile is COc1c(C#N)c2c(c3c1-c1ccccc1N=3)=Nc1ccccc1-2.
What is the InChIKey of 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile?
The InChIKey is RDDOSCZPCHSCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O/c1-24-20-13(10-21)16-11-6-2-4-8-14(11)22-18(16)19-17(20)12-7-3-5-9-15(12)23-19/h2-9H,1H3.
What are the key properties of 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile?
5-methoxyindolo[2,3-a]carbazole-6-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyindolo[2,3-a]carbazole-6-carbonitrile is sourced from PubChem (CID 21121440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).