methyl 1-(4-methoxybenzoyl)indole-3-carboxylate

C18H15NO4 — CID 704184

IUPACmethyl 1-(4-methoxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C18H15NO4/c1-22-13-9-7-12(8-10-13)17(20)19-11-15(18(21)23-2)14-5-3-4-6-16(14)19/h3-11H,1-2H3
InChIKeySLKRGEZZGZITAI-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.12
Rot. Bonds3

About methyl 1-(4-methoxybenzoyl)indole-3-carboxylate

methyl 1-(4-methoxybenzoyl)indole-3-carboxylate (PubChem CID 704184) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 1-(4-methoxybenzoyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxybenzoyl)indole-3-carboxylate
PubChem CID704184
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl 1-(4-methoxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C18H15NO4/c1-22-13-9-7-12(8-10-13)17(20)19-11-15(18(21)23-2)14-5-3-4-6-16(14)19/h3-11H,1-2H3
InChIKeySLKRGEZZGZITAI-UHFFFAOYSA-N
XLogP3.12
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(4-methoxybenzoyl)indole-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

methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate
CID 2202954
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
CID 8779097
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
methyl 1-(furan-2-carbonyl)indole-3-carboxylate
CID 703721
methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate
CID 7376054
methyl 1-[2-(4-methoxyphenyl)ethynyl]indole-3-carboxylate
CID 24776972
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxybenzoyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(4-methoxybenzoyl)indole-3-carboxylate (CID 704184) is methyl 1-(4-methoxybenzoyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxybenzoyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(4-methoxybenzoyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2ccc(OC)cc2)c2ccccc12.
What is the InChIKey of methyl 1-(4-methoxybenzoyl)indole-3-carboxylate?
The InChIKey is SLKRGEZZGZITAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-13-9-7-12(8-10-13)17(20)19-11-15(18(21)23-2)14-5-3-4-6-16(14)19/h3-11H,1-2H3.
What are the key properties of methyl 1-(4-methoxybenzoyl)indole-3-carboxylate?
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxybenzoyl)indole-3-carboxylate is sourced from PubChem (CID 704184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).