methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate

C19H17NO5 — CID 702926

IUPACmethyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cc(OC)cc(OC)c2)c2ccccc12
InChIInChI=1S/C19H17NO5/c1-23-13-8-12(9-14(10-13)24-2)18(21)20-11-16(19(22)25-3)15-6-4-5-7-17(15)20/h4-11H,1-3H3
InChIKeyAAFMULPTSGQUEJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.13
Rot. Bonds4

About methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate

methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate (PubChem CID 702926) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate
PubChem CID702926
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namemethyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cc(OC)cc(OC)c2)c2ccccc12
InChIInChI=1S/C19H17NO5/c1-23-13-8-12(9-14(10-13)24-2)18(21)20-11-16(19(22)25-3)15-6-4-5-7-17(15)20/h4-11H,1-3H3
InChIKeyAAFMULPTSGQUEJ-UHFFFAOYSA-N
XLogP3.13
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate (CID 702926) is methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2cc(OC)cc(OC)c2)c2ccccc12.
What is the InChIKey of methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate?
The InChIKey is AAFMULPTSGQUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-13-8-12(9-14(10-13)24-2)18(21)20-11-16(19(22)25-3)15-6-4-5-7-17(15)20/h4-11H,1-3H3.
What are the key properties of methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate?
methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate is sourced from PubChem (CID 702926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).