methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate

C26H21FN2O5 — CID 56588853

IUPACmethyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate
SMILESCOCCN1Cc2cc(C(=O)OC)c3c(c2C1=O)c1cc(F)ccc1n3C(=O)c1ccccc1
InChIInChI=1S/C26H21FN2O5/c1-33-11-10-28-14-16-12-19(26(32)34-2)23-22(21(16)25(28)31)18-13-17(27)8-9-20(18)29(23)24(30)15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyQJIIKPRCPOBMJQ-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.01
Rot. Bonds5

About methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate

methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate (PubChem CID 56588853) has the molecular formula C26H21FN2O5 and a molecular weight of 460.46 g/mol. Its IUPAC name is methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate
PubChem CID56588853
Molecular FormulaC26H21FN2O5
Molecular Weight460.46 g/mol
Exact Mass460.14
IUPAC Namemethyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate
SMILESCOCCN1Cc2cc(C(=O)OC)c3c(c2C1=O)c1cc(F)ccc1n3C(=O)c1ccccc1
InChIInChI=1S/C26H21FN2O5/c1-33-11-10-28-14-16-12-19(26(32)34-2)23-22(21(16)25(28)31)18-13-17(27)8-9-20(18)29(23)24(30)15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyQJIIKPRCPOBMJQ-UHFFFAOYSA-N
XLogP4.01
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The IUPAC name of methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate (CID 56588853) is methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate.
What is the SMILES notation for methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The canonical SMILES for methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate is COCCN1Cc2cc(C(=O)OC)c3c(c2C1=O)c1cc(F)ccc1n3C(=O)c1ccccc1.
What is the InChIKey of methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The InChIKey is QJIIKPRCPOBMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O5/c1-33-11-10-28-14-16-12-19(26(32)34-2)23-22(21(16)25(28)31)18-13-17(27)8-9-20(18)29(23)24(30)15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3.
What are the key properties of methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate?
methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate has a molecular weight of 460.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-benzoyl-9-fluoro-2-(2-methoxyethyl)-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate is sourced from PubChem (CID 56588853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).