methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate

C16H15NO3 — CID 86129099

IUPACmethyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate
SMILESCOC(=O)c1c(C)ccc2[nH]c3ccc(OC)cc3c12
InChIInChI=1S/C16H15NO3/c1-9-4-6-13-15(14(9)16(18)20-3)11-8-10(19-2)5-7-12(11)17-13/h4-8,17H,1-3H3
InChIKeyZQKLQCFINULHND-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.42
Rot. Bonds2

About methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate

methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate (PubChem CID 86129099) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate
PubChem CID86129099
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate
SMILESCOC(=O)c1c(C)ccc2[nH]c3ccc(OC)cc3c12
InChIInChI=1S/C16H15NO3/c1-9-4-6-13-15(14(9)16(18)20-3)11-8-10(19-2)5-7-12(11)17-13/h4-8,17H,1-3H3
InChIKeyZQKLQCFINULHND-UHFFFAOYSA-N
XLogP3.42
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate?
The IUPAC name of methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate (CID 86129099) is methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate is COC(=O)c1c(C)ccc2[nH]c3ccc(OC)cc3c12.
What is the InChIKey of methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate?
The InChIKey is ZQKLQCFINULHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-9-4-6-13-15(14(9)16(18)20-3)11-8-10(19-2)5-7-12(11)17-13/h4-8,17H,1-3H3.
What are the key properties of methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate?
methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate is sourced from PubChem (CID 86129099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).