methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate

C14H17NO4 — CID 15395202

IUPACmethyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate
SMILESCOC(=O)c1c(C)c2cc(OC)cc(OC)c2n1C
InChIInChI=1S/C14H17NO4/c1-8-10-6-9(17-3)7-11(18-4)13(10)15(2)12(8)14(16)19-5/h6-7H,1-5H3
InChIKeyQXLJSBCHVXEQQE-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.29
Rot. Bonds3

About methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate

methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate (PubChem CID 15395202) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate
PubChem CID15395202
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate
SMILESCOC(=O)c1c(C)c2cc(OC)cc(OC)c2n1C
InChIInChI=1S/C14H17NO4/c1-8-10-6-9(17-3)7-11(18-4)13(10)15(2)12(8)14(16)19-5/h6-7H,1-5H3
InChIKeyQXLJSBCHVXEQQE-UHFFFAOYSA-N
XLogP2.29
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate
CID 102511974
5,7-dimethoxy-3-methyl-1-prop-2-ynylindole-2-carboxylic acid
CID 83969503
5,7-dimethoxy-3-methyl-1-prop-2-enylindole-2-carboxylic acid
CID 83969493
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
7-methoxy-1,2,3-trimethylindole-5-carboxylic acid
CID 84696644
2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine
CID 82498803
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82501140
6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82498212
3-(7-methoxy-1,3,5-trimethylindol-2-yl)propanoic acid
CID 82500848
dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate
CID 10036603

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate?
The IUPAC name of methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate (CID 15395202) is methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate.
What is the SMILES notation for methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate?
The canonical SMILES for methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate is COC(=O)c1c(C)c2cc(OC)cc(OC)c2n1C.
What is the InChIKey of methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate?
The InChIKey is QXLJSBCHVXEQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-10-6-9(17-3)7-11(18-4)13(10)15(2)12(8)14(16)19-5/h6-7H,1-5H3.
What are the key properties of methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate?
methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate is sourced from PubChem (CID 15395202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).