ethyl 6-benzoyl-1H-indole-4-carboxylate

C18H15NO3 — CID 135007756

IUPACethyl 6-benzoyl-1H-indole-4-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)cc2[nH]ccc12
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)15-10-13(11-16-14(15)8-9-19-16)17(20)12-6-4-3-5-7-12/h3-11,19H,2H2,1H3
InChIKeyYZLIRPIFNOWHIZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.58
Rot. Bonds4

About ethyl 6-benzoyl-1H-indole-4-carboxylate

ethyl 6-benzoyl-1H-indole-4-carboxylate (PubChem CID 135007756) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 6-benzoyl-1H-indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzoyl-1H-indole-4-carboxylate
PubChem CID135007756
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Nameethyl 6-benzoyl-1H-indole-4-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)cc2[nH]ccc12
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)15-10-13(11-16-14(15)8-9-19-16)17(20)12-6-4-3-5-7-12/h3-11,19H,2H2,1H3
InChIKeyYZLIRPIFNOWHIZ-UHFFFAOYSA-N
XLogP3.58
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-amino-1H-indole-4-carboxylate
CID 53435938
ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
ethyl 3-benzoyl-1H-indole-5-carboxylate
CID 10589798
ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylate;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylic acid
CID 157331243
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
CID 158970570
CID 158970570
ethyl 4-(iodomethyl)-1H-indole-5-carboxylate
CID 89343822
diethyl 2-phenoxybenzene-1,4-dicarboxylate;diphenylmethanone
CID 174910592
4-(4-carboxy-3-ethoxycarbonylbenzoyl)-2-methoxycarbonylbenzoic acid
CID 54450854
methyl 6-phenylmethoxy-1H-indole-4-carboxylate
CID 138110778
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzoyl-1H-indole-4-carboxylate?
The IUPAC name of ethyl 6-benzoyl-1H-indole-4-carboxylate (CID 135007756) is ethyl 6-benzoyl-1H-indole-4-carboxylate.
What is the SMILES notation for ethyl 6-benzoyl-1H-indole-4-carboxylate?
The canonical SMILES for ethyl 6-benzoyl-1H-indole-4-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2)cc2[nH]ccc12.
What is the InChIKey of ethyl 6-benzoyl-1H-indole-4-carboxylate?
The InChIKey is YZLIRPIFNOWHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-22-18(21)15-10-13(11-16-14(15)8-9-19-16)17(20)12-6-4-3-5-7-12/h3-11,19H,2H2,1H3.
What are the key properties of ethyl 6-benzoyl-1H-indole-4-carboxylate?
ethyl 6-benzoyl-1H-indole-4-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzoyl-1H-indole-4-carboxylate is sourced from PubChem (CID 135007756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).