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

C24H24N4O — CID 66834245

IUPAC6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESC[C@H]1CNCCN1c1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C24H24N4O/c1-14-13-26-8-9-28(14)16-5-7-17-19(11-16)24(2,3)23-21(22(17)29)18-6-4-15(12-25)10-20(18)27-23/h4-7,10-11,14,26-27H,8-9,13H2,1-3H3/t14-/m0/s1
InChIKeyBYZMIAAEARRQMS-AWEZNQCLSA-N
MW384.48 g/mol
LogP3.71
Rot. Bonds1

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

6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834245) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834245
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESC[C@H]1CNCCN1c1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C24H24N4O/c1-14-13-26-8-9-28(14)16-5-7-17-19(11-16)24(2,3)23-21(22(17)29)18-6-4-15(12-25)10-20(18)27-23/h4-7,10-11,14,26-27H,8-9,13H2,1-3H3/t14-/m0/s1
InChIKeyBYZMIAAEARRQMS-AWEZNQCLSA-N
XLogP3.71
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 66834245) is 6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is C[C@H]1CNCCN1c1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.
What is the InChIKey of 6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is BYZMIAAEARRQMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H24N4O/c1-14-13-26-8-9-28(14)16-5-7-17-19(11-16)24(2,3)23-21(22(17)29)18-6-4-15(12-25)10-20(18)27-23/h4-7,10-11,14,26-27H,8-9,13H2,1-3H3/t14-/m0/s1.
What are the key properties of 6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 384.48 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-8-[(2S)-2-methylpiperazin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).