6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile

C25H24N4O3 — CID 66834119

IUPAC6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(OCC(=O)N3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C25H24N4O3/c1-25(2)19-12-16(32-14-21(30)29-9-7-27-8-10-29)4-6-17(19)23(31)22-18-5-3-15(13-26)11-20(18)28-24(22)25/h3-6,11-12,27-28H,7-10,14H2,1-2H3
InChIKeyFRWUXXBREKMJMS-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.72
Rot. Bonds3

About 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile

6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834119) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834119
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(OCC(=O)N3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C25H24N4O3/c1-25(2)19-12-16(32-14-21(30)29-9-7-27-8-10-29)4-6-17(19)23(31)22-18-5-3-15(13-26)11-20(18)28-24(22)25/h3-6,11-12,27-28H,7-10,14H2,1-2H3
InChIKeyFRWUXXBREKMJMS-UHFFFAOYSA-N
XLogP2.72
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile (CID 66834119) is 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(OCC(=O)N3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is FRWUXXBREKMJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-25(2)19-12-16(32-14-21(30)29-9-7-27-8-10-29)4-6-17(19)23(31)22-18-5-3-15(13-26)11-20(18)28-24(22)25/h3-6,11-12,27-28H,7-10,14H2,1-2H3.
What are the key properties of 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile?
6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 428.49 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-11-oxo-8-(2-oxo-2-piperazin-1-ylethoxy)-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).