methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate

C18H11NO4 — CID 170638986

IUPACmethyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C18H11NO4/c1-23-18(22)9-6-7-13-12(8-9)14-15(19-13)17(21)11-5-3-2-4-10(11)16(14)20/h2-8,19H,1H3
InChIKeyGQOCORUEXYJZIP-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.73
Rot. Bonds1

About methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate

methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate (PubChem CID 170638986) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate
PubChem CID170638986
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Namemethyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C18H11NO4/c1-23-18(22)9-6-7-13-12(8-9)14-15(19-13)17(21)11-5-3-2-4-10(11)16(14)20/h2-8,19H,1H3
InChIKeyGQOCORUEXYJZIP-UHFFFAOYSA-N
XLogP2.73
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione
CID 170638975
methyl 5,7,12-trihydroxy-6,11-dioxotetracene-2-carboxylate
CID 155290613
2,3-difluoro-5H-benzo[b]carbazole-6,11-dione
CID 149338155
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
5H-indeno[1,2-b]indol-10-one
CID 2785776
methyl 4-hydroxy-9,10-dioxoanthracene-2-carboxylate
CID 10902055
methyl 3,5,8,10-tetraoxo-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13(18),14,16-hexaene-15-carboxylate
CID 11696235
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443
methyl 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indole-5-carboxylate
CID 154640119
methyl 4,5-dioxo-1H-benzo[g]indole-2-carboxylate
CID 14969611

Frequently Asked Questions

What is the IUPAC name of methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate?
The IUPAC name of methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate (CID 170638986) is methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate.
What is the SMILES notation for methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate?
The canonical SMILES for methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate is COC(=O)c1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate?
The InChIKey is GQOCORUEXYJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c1-23-18(22)9-6-7-13-12(8-9)14-15(19-13)17(21)11-5-3-2-4-10(11)16(14)20/h2-8,19H,1H3.
What are the key properties of methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate?
methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate is sourced from PubChem (CID 170638986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).