ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate

C16H17BrN2O3 — CID 90376570

IUPACethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
SMILESCCOC(=O)C1CCc2[nH]c3cc(Br)cc(C(N)=O)c3c2C1
InChIInChI=1S/C16H17BrN2O3/c1-2-22-16(21)8-3-4-12-10(5-8)14-11(15(18)20)6-9(17)7-13(14)19-12/h6-8,19H,2-5H2,1H3,(H2,18,20)
InChIKeyKQHASAOBQMGBLE-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.70
Rot. Bonds3

About ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate

ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate (PubChem CID 90376570) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
PubChem CID90376570
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Nameethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
SMILESCCOC(=O)C1CCc2[nH]c3cc(Br)cc(C(N)=O)c3c2C1
InChIInChI=1S/C16H17BrN2O3/c1-2-22-16(21)8-3-4-12-10(5-8)14-11(15(18)20)6-9(17)7-13(14)19-12/h6-8,19H,2-5H2,1H3,(H2,18,20)
InChIKeyKQHASAOBQMGBLE-UHFFFAOYSA-N
XLogP2.70
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 66604417
ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 23559459
ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
CID 15284090
ethyl 3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylate
CID 129009642
ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate
CID 147445719
ethyl 4-oxo-3,5,6,7,8,9-hexahydropyrimido[4,5-b]indole-6-carboxylate;ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)hydrazinylidene]cyclohexane-1-carboxylate
CID 159247074
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
ethyl 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]piperidine-4-carboxylate
CID 54370238
ethyl 6,9-dimethyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612098
6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide
CID 171382229
ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 137374093
ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 82563531

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
The IUPAC name of ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate (CID 90376570) is ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate.
What is the SMILES notation for ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
The canonical SMILES for ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate is CCOC(=O)C1CCc2[nH]c3cc(Br)cc(C(N)=O)c3c2C1.
What is the InChIKey of ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
The InChIKey is KQHASAOBQMGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-2-22-16(21)8-3-4-12-10(5-8)14-11(15(18)20)6-9(17)7-13(14)19-12/h6-8,19H,2-5H2,1H3,(H2,18,20).
What are the key properties of ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate has a molecular weight of 365.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate is sourced from PubChem (CID 90376570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).