methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate

C17H16BrNO4 — CID 11153137

IUPACmethyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]c3c(Br)c(C)c(OC)cc3c12
InChIInChI=1S/C17H16BrNO4/c1-8-12(22-3)7-10-13-9(17(20)23-4)5-6-11(21-2)16(13)19-15(10)14(8)18/h5-7,19H,1-4H3
InChIKeyZXJSYTWLRRZKFN-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.20
Rot. Bonds3

About methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate

methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate (PubChem CID 11153137) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate
PubChem CID11153137
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Namemethyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]c3c(Br)c(C)c(OC)cc3c12
InChIInChI=1S/C17H16BrNO4/c1-8-12(22-3)7-10-13-9(17(20)23-4)5-6-11(21-2)16(13)19-15(10)14(8)18/h5-7,19H,1-4H3
InChIKeyZXJSYTWLRRZKFN-UHFFFAOYSA-N
XLogP4.20
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-3-methoxy-2-methylbenzoate
CID 70807623
methyl 7-methoxy-1H-indole-4-carboxylate
CID 11020003
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 2,4-dibromo-3,5-dimethoxybenzoate
CID 165356918
dimethyl 3-bromo-4,5-dimethylbenzene-1,2-dicarboxylate
CID 164920115
4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
CID 172970685
methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
CID 7141912
dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10660138
methyl 2-bromo-4-methoxy-3,5-dimethylbenzoate
CID 57495652
methyl 2-bromo-3-methyl-4-(3-methylphenoxy)benzoate
CID 169220245
methyl 7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663455

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate?
The IUPAC name of methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate (CID 11153137) is methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate.
What is the SMILES notation for methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate?
The canonical SMILES for methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate is COC(=O)c1ccc(OC)c2[nH]c3c(Br)c(C)c(OC)cc3c12.
What is the InChIKey of methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate?
The InChIKey is ZXJSYTWLRRZKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-8-12(22-3)7-10-13-9(17(20)23-4)5-6-11(21-2)16(13)19-15(10)14(8)18/h5-7,19H,1-4H3.
What are the key properties of methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate?
methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate has a molecular weight of 378.22 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate is sourced from PubChem (CID 11153137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).