9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C30H34N4O2 — CID 66834858

IUPAC9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCCc1ccc2c(c1N1CCC(N3CCOCC3)CC1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C
InChIInChI=1S/C30H34N4O2/c1-4-20-6-8-23-26(27(20)34-11-9-21(10-12-34)33-13-15-36-16-14-33)28(35)25-22-7-5-19(18-31)17-24(22)32-29(25)30(23,2)3/h5-8,17,21,32H,4,9-16H2,1-3H3
InChIKeyODUJYVDSVKVJLT-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.77
Rot. Bonds3

About 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834858) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834858
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCCc1ccc2c(c1N1CCC(N3CCOCC3)CC1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C
InChIInChI=1S/C30H34N4O2/c1-4-20-6-8-23-26(27(20)34-11-9-21(10-12-34)33-13-15-36-16-14-33)28(35)25-22-7-5-19(18-31)17-24(22)32-29(25)30(23,2)3/h5-8,17,21,32H,4,9-16H2,1-3H3
InChIKeyODUJYVDSVKVJLT-UHFFFAOYSA-N
XLogP4.77
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 66834858) is 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CCc1ccc2c(c1N1CCC(N3CCOCC3)CC1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C.
What is the InChIKey of 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is ODUJYVDSVKVJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-4-20-6-8-23-26(27(20)34-11-9-21(10-12-34)33-13-15-36-16-14-33)28(35)25-22-7-5-19(18-31)17-24(22)32-29(25)30(23,2)3/h5-8,17,21,32H,4,9-16H2,1-3H3.
What are the key properties of 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 482.63 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).