ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate

C14H17NO4 — CID 100984244

IUPACethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2c(OC)ccc(OC)c12
InChIInChI=1S/C14H17NO4/c1-5-19-14(16)9-8-15(2)13-11(18-4)7-6-10(17-3)12(9)13/h6-8H,5H2,1-4H3
InChIKeyNWRZYOYICXFQOJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.37
Rot. Bonds4

About ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate

ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate (PubChem CID 100984244) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
PubChem CID100984244
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2c(OC)ccc(OC)c12
InChIInChI=1S/C14H17NO4/c1-5-19-14(16)9-8-15(2)13-11(18-4)7-6-10(17-3)12(9)13/h6-8H,5H2,1-4H3
InChIKeyNWRZYOYICXFQOJ-UHFFFAOYSA-N
XLogP2.37
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
CID 82495456
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
CID 46397829
ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate
CID 11724307
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131
ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate
CID 118643323

Frequently Asked Questions

What is the IUPAC name of ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate?
The IUPAC name of ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate (CID 100984244) is ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate?
The canonical SMILES for ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate is CCOC(=O)c1cn(C)c2c(OC)ccc(OC)c12.
What is the InChIKey of ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate?
The InChIKey is NWRZYOYICXFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-5-19-14(16)9-8-15(2)13-11(18-4)7-6-10(17-3)12(9)13/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate?
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate is sourced from PubChem (CID 100984244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).