methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate

C20H17NO5 — CID 101451038

IUPACmethyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate
SMILESCOC(=O)Cc1cc2c(ccn2C(=O)c2ccccc2)cc1C(=O)OC
InChIInChI=1S/C20H17NO5/c1-25-18(22)12-15-11-17-14(10-16(15)20(24)26-2)8-9-21(17)19(23)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyOHOBAGRBKJRBQN-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.83
Rot. Bonds4

About methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate

methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate (PubChem CID 101451038) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate
PubChem CID101451038
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Namemethyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate
SMILESCOC(=O)Cc1cc2c(ccn2C(=O)c2ccccc2)cc1C(=O)OC
InChIInChI=1S/C20H17NO5/c1-25-18(22)12-15-11-17-14(10-16(15)20(24)26-2)8-9-21(17)19(23)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyOHOBAGRBKJRBQN-UHFFFAOYSA-N
XLogP2.83
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate
CID 56851741
1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide
CID 71075681
methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate
CID 175014240
methyl 1-(3-phenylpropanoyl)indole-5-carboxylate
CID 101462418
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 4-amino-2-(2-methoxy-2-oxoethyl)benzoate
CID 12616213
methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
methyl 5-iodo-2-(2-methoxy-2-oxoethyl)benzoate
CID 15373786
indol-1-yl-(4-methylphenyl)methanone
CID 10955526
methyl 1-benzoyl-3-formylindole-5-carboxylate
CID 141446667
methyl 3-(2-methoxy-2-oxoethyl)-4-methylbenzoate
CID 59212520

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate?
The IUPAC name of methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate (CID 101451038) is methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate.
What is the SMILES notation for methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate?
The canonical SMILES for methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate is COC(=O)Cc1cc2c(ccn2C(=O)c2ccccc2)cc1C(=O)OC.
What is the InChIKey of methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate?
The InChIKey is OHOBAGRBKJRBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-25-18(22)12-15-11-17-14(10-16(15)20(24)26-2)8-9-21(17)19(23)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate?
methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate is sourced from PubChem (CID 101451038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).