8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one

C26H30N2O4 — CID 167192958

IUPAC8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one
SMILESC/N=C/c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCCOC)c(OC(C)C)cc1C3=O
InChIInChI=1S/C26H30N2O4/c1-15(2)32-22-12-18-19(13-21(22)31-10-9-30-6)26(3,4)25-23(24(18)29)17-8-7-16(14-27-5)11-20(17)28-25/h7-8,11-15,28H,9-10H2,1-6H3/b27-14+
InChIKeyGSIWWWCIKXPRKA-MZJWZYIUSA-N
MW434.54 g/mol
LogP4.90
Rot. Bonds7

About 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one

8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one (PubChem CID 167192958) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one
PubChem CID167192958
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one
SMILESC/N=C/c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCCOC)c(OC(C)C)cc1C3=O
InChIInChI=1S/C26H30N2O4/c1-15(2)32-22-12-18-19(13-21(22)31-10-9-30-6)26(3,4)25-23(24(18)29)17-8-7-16(14-27-5)11-20(17)28-25/h7-8,11-15,28H,9-10H2,1-6H3/b27-14+
InChIKeyGSIWWWCIKXPRKA-MZJWZYIUSA-N
XLogP4.90
TPSA72.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-8-(2-diethylaminoethoxy)-6,6-dimethyl-5,6-dihydro-benzo[b]carbazol-11-one
CID 54580866
8-(2-(diethylamino)ethoxy)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
CID 54580867
8-(2-(diethylamino)ethoxy)-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11(6H)-one
CID 54582849
1-(2-(3-cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-8-yloxy)ethyl)urea
CID 54582850
8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 54584815
N-(2-(3-cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-8-yloxy)ethyl)acetamide
CID 54586751
3-bromo-8-(2-(diethylamino)ethoxy)-6,6-dimethyl-5H-benzo[b]carbazol-11(6H)-one
CID 54587776
2-methoxy-5H-benzo[b]carbazole-6,11-dione
CID 10923849
9-acetyl-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66833908
6,6-Dimethyl-8-(1-methyl-piperidin-4-yloxy)-9-nitro-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
CID 66834432
6,6-dimethyl-8-morpholin-4-yl-11-oxo-9-(oxolan-3-yloxy)-5H-benzo[b]carbazole-3-carbonitrile
CID 68092577
2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 661651

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one?
The IUPAC name of 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one (CID 167192958) is 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one is C/N=C/c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCCOC)c(OC(C)C)cc1C3=O.
What is the InChIKey of 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one?
The InChIKey is GSIWWWCIKXPRKA-MZJWZYIUSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-15(2)32-22-12-18-19(13-21(22)31-10-9-30-6)26(3,4)25-23(24(18)29)17-8-7-16(14-27-5)11-20(17)28-25/h7-8,11-15,28H,9-10H2,1-6H3/b27-14+.
What are the key properties of 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one?
8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one has a molecular weight of 434.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethoxy)-6,6-dimethyl-3-(methyliminomethyl)-9-propan-2-yloxy-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 167192958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).