9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one

C26H29N3O2 — CID 167193340

IUPAC9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one
SMILESCCc1cc2c(cc1N1CCOCC1)C(C)(C)c1[nH]c3cc(/C=N/C)ccc3c1C2=O
InChIInChI=1S/C26H29N3O2/c1-5-17-13-19-20(14-22(17)29-8-10-31-11-9-29)26(2,3)25-23(24(19)30)18-7-6-16(15-27-4)12-21(18)28-25/h6-7,12-15,28H,5,8-11H2,1-4H3/b27-15+
InChIKeyZZFUSXKDCAEFEW-JFLMPSFJSA-N
MW415.54 g/mol
LogP4.49
Rot. Bonds3

About 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one

9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one (PubChem CID 167193340) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one
PubChem CID167193340
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one
SMILESCCc1cc2c(cc1N1CCOCC1)C(C)(C)c1[nH]c3cc(/C=N/C)ccc3c1C2=O
InChIInChI=1S/C26H29N3O2/c1-5-17-13-19-20(14-22(17)29-8-10-31-11-9-29)26(2,3)25-23(24(19)30)18-7-6-16(15-27-4)12-21(18)28-25/h6-7,12-15,28H,5,8-11H2,1-4H3/b27-15+
InChIKeyZZFUSXKDCAEFEW-JFLMPSFJSA-N
XLogP4.49
TPSA57.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one with MolForge

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Related Compounds

9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-piperazin-1-yl-5H-benzo[b]carbazol-11-one
CID 139565120
8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
CID 135211224
9-ethyl-8-[4-(1-ethylcyclobutyl)piperazin-1-yl]-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
CID 167193795
6,6-dimethyl-3-(methyliminomethyl)-9-(1-methylpyrazol-4-yl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one
CID 135211035
8-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
CID 167193458
1-[4-[9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-11-oxo-5H-benzo[b]carbazol-8-yl]piperazin-1-yl]cyclohexane-1-carbonitrile
CID 135211351
8-(4-cyclobutylpiperazin-1-yl)-6,6,9-trimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
CID 134375553
3-bromo-9-ethyl-6,6-dimethyl-8-(4-oxopiperidin-1-yl)-5H-benzo[b]carbazol-11-one
CID 171474706
9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile;hydron
CID 118796890
3-(2-cyclopropylethynyl)-9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-5H-benzo[b]carbazol-11-one
CID 171474697
9-ethyl-3,6,6-trimethyl-8-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-5H-benzo[b]carbazol-11-one
CID 167699885
tert-butyl 4-[9-(dimethylaminosulfanyl)-6,6-dimethyl-3-(methyliminomethyl)-11-oxo-5H-benzo[b]carbazol-8-yl]piperazine-1-carboxylate
CID 134375416

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one (CID 167193340) is 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one is CCc1cc2c(cc1N1CCOCC1)C(C)(C)c1[nH]c3cc(/C=N/C)ccc3c1C2=O.
What is the InChIKey of 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one?
The InChIKey is ZZFUSXKDCAEFEW-JFLMPSFJSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-5-17-13-19-20(14-22(17)29-8-10-31-11-9-29)26(2,3)25-23(24(19)30)18-7-6-16(15-27-4)12-21(18)28-25/h6-7,12-15,28H,5,8-11H2,1-4H3/b27-15+.
What are the key properties of 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one?
9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one has a molecular weight of 415.54 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 167193340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).