8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C23H21N3O4S — CID 134375929

IUPAC8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(O)c(S(=O)N3CCOCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C23H21N3O4S/c1-23(2)16-11-18(27)19(31(29)26-5-7-30-8-6-26)10-15(16)21(28)20-14-4-3-13(12-24)9-17(14)25-22(20)23/h3-4,9-11,25,27H,5-8H2,1-2H3
InChIKeySEHMFXSKDJXEIE-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.97
Rot. Bonds2

About 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 134375929) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID134375929
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(O)c(S(=O)N3CCOCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C23H21N3O4S/c1-23(2)16-11-18(27)19(31(29)26-5-7-30-8-6-26)10-15(16)21(28)20-14-4-3-13(12-24)9-17(14)25-22(20)23/h3-4,9-11,25,27H,5-8H2,1-2H3
InChIKeySEHMFXSKDJXEIE-UHFFFAOYSA-N
XLogP2.97
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-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 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 134375929) is 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(O)c(S(=O)N3CCOCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is SEHMFXSKDJXEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-23(2)16-11-18(27)19(31(29)26-5-7-30-8-6-26)10-15(16)21(28)20-14-4-3-13(12-24)9-17(14)25-22(20)23/h3-4,9-11,25,27H,5-8H2,1-2H3.
What are the key properties of 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 435.51 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 134375929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).