6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile

C23H22N4O — CID 54578542

IUPAC6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(N3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C23H22N4O/c1-23(2)18-12-15(27-9-7-25-8-10-27)4-6-16(18)21(28)20-17-5-3-14(13-24)11-19(17)26-22(20)23/h3-6,11-12,25-26H,7-10H2,1-2H3
InChIKeyKVYXHXPMHSJWIS-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.32
Rot. Bonds1

About 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile

6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 54578542) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID54578542
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(N3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C23H22N4O/c1-23(2)18-12-15(27-9-7-25-8-10-27)4-6-16(18)21(28)20-17-5-3-14(13-24)11-19(17)26-22(20)23/h3-6,11-12,25-26H,7-10H2,1-2H3
InChIKeyKVYXHXPMHSJWIS-UHFFFAOYSA-N
XLogP3.32
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile (CID 54578542) is 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(N3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is KVYXHXPMHSJWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-23(2)18-12-15(27-9-7-25-8-10-27)4-6-16(18)21(28)20-17-5-3-14(13-24)11-19(17)26-22(20)23/h3-6,11-12,25-26H,7-10H2,1-2H3.
What are the key properties of 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile?
6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 54578542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).