4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C20H17N3O2 — CID 66834353

IUPAC4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3c(N)c(C#N)ccc3c1C2=O
InChIInChI=1S/C20H17N3O2/c1-20(2)14-8-11(25-3)5-7-12(14)18(24)15-13-6-4-10(9-21)16(22)17(13)23-19(15)20/h4-8,23H,22H2,1-3H3
InChIKeyNKWYQYPSZJUJJG-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.50
Rot. Bonds1

About 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834353) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834353
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3c(N)c(C#N)ccc3c1C2=O
InChIInChI=1S/C20H17N3O2/c1-20(2)14-8-11(25-3)5-7-12(14)18(24)15-13-6-4-10(9-21)16(22)17(13)23-19(15)20/h4-8,23H,22H2,1-3H3
InChIKeyNKWYQYPSZJUJJG-UHFFFAOYSA-N
XLogP3.50
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 66834353) is 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is COc1ccc2c(c1)C(C)(C)c1[nH]c3c(N)c(C#N)ccc3c1C2=O.
What is the InChIKey of 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is NKWYQYPSZJUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-20(2)14-8-11(25-3)5-7-12(14)18(24)15-13-6-4-10(9-21)16(22)17(13)23-19(15)20/h4-8,23H,22H2,1-3H3.
What are the key properties of 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).