8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C28H30N4O — CID 57399905

IUPAC8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCCc1cc2c(cc1N1CCN(C3CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C28H30N4O/c1-4-18-14-21-22(15-24(18)32-11-9-31(10-12-32)19-6-7-19)28(2,3)27-25(26(21)33)20-8-5-17(16-29)13-23(20)30-27/h5,8,13-15,19,30H,4,6-7,9-12H2,1-3H3
InChIKeyZRQHFJCEWQABGC-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.76
Rot. Bonds3

About 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 57399905) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID57399905
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCCc1cc2c(cc1N1CCN(C3CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C28H30N4O/c1-4-18-14-21-22(15-24(18)32-11-9-31(10-12-32)19-6-7-19)28(2,3)27-25(26(21)33)20-8-5-17(16-29)13-23(20)30-27/h5,8,13-15,19,30H,4,6-7,9-12H2,1-3H3
InChIKeyZRQHFJCEWQABGC-UHFFFAOYSA-N
XLogP4.76
TPSA63.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 57399905) is 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CCc1cc2c(cc1N1CCN(C3CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.
What is the InChIKey of 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is ZRQHFJCEWQABGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-4-18-14-21-22(15-24(18)32-11-9-31(10-12-32)19-6-7-19)28(2,3)27-25(26(21)33)20-8-5-17(16-29)13-23(20)30-27/h5,8,13-15,19,30H,4,6-7,9-12H2,1-3H3.
What are the key properties of 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 438.58 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclopropylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 57399905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).