methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate

C17H20ClNO4 — CID 155122690

IUPACmethyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate
SMILESCCc1c(Cl)ccc2c(CCC(=O)OC)c(C(=O)OC)n(C)c12
InChIInChI=1S/C17H20ClNO4/c1-5-10-13(18)8-6-11-12(7-9-14(20)22-3)16(17(21)23-4)19(2)15(10)11/h6,8H,5,7,9H2,1-4H3
InChIKeyUGZKCFKIABOPKU-UHFFFAOYSA-N
MW337.80 g/mol
LogP3.29
Rot. Bonds5

About methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate

methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate (PubChem CID 155122690) has the molecular formula C17H20ClNO4 and a molecular weight of 337.80 g/mol. Its IUPAC name is methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate
PubChem CID155122690
Molecular FormulaC17H20ClNO4
Molecular Weight337.80 g/mol
Exact Mass337.11
IUPAC Namemethyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate
SMILESCCc1c(Cl)ccc2c(CCC(=O)OC)c(C(=O)OC)n(C)c12
InChIInChI=1S/C17H20ClNO4/c1-5-10-13(18)8-6-11-12(7-9-14(20)22-3)16(17(21)23-4)19(2)15(10)11/h6,8H,5,7,9H2,1-4H3
InChIKeyUGZKCFKIABOPKU-UHFFFAOYSA-N
XLogP3.29
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 6-fluoro-3-(3-methoxy-3-oxopropyl)-7-[3-[(4-methoxyphenyl)methoxymethyl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]-1-methylindole-2-carboxylate
CID 162533063
methyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-chloro-7-[5-ethyl-3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1-methylindole-2-carboxylate
CID 169015767
3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylic acid
CID 163856217
methyl 6-chloro-7-[3-[[5-[(7-hydroxy-2,3-dihydro-1H-inden-5-yl)sulfanylmethyl]-1-methylpyrazol-3-yl]methylsulfanylmethyl]-1,5-dimethylpyrazol-4-yl]-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate
CID 155257743
methyl 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indole-2-carboxylate
CID 166152696
methyl 6-chloro-7-[3-[[[5-[(6-hydroxy-2,3-dihydro-1H-inden-4-yl)sulfanylmethyl]-1-methylpyrazol-3-yl]methyl-methylamino]methyl]-1,5-dimethylpyrazol-4-yl]-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate
CID 155257737
methyl 2,3-dichloro-6-(3-methoxy-3-oxopropyl)benzoate
CID 70566901
methyl 6-(2,6-dichlorophenyl)-4-oxohexanoate
CID 107902610
methyl 3-(3-acetyloxypropyl)-6-chloro-7-[2-(iodomethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-methylindole-2-carboxylate
CID 156503064
methyl 6-chloro-7-[3-[[5-[(4-hydroxynaphthalen-2-yl)sulfanylmethyl]-1-propan-2-ylpyrazol-3-yl]methylsulfanylmethyl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate
CID 162533122
methyl 2-(3-methoxy-3-oxopropyl)-3-methylbenzoate
CID 134633970
methyl 4-bromo-5-chloro-1-(3-methoxy-3-oxopropyl)indole-2-carboxylate
CID 151537661

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate?
The IUPAC name of methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate (CID 155122690) is methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate?
The canonical SMILES for methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate is CCc1c(Cl)ccc2c(CCC(=O)OC)c(C(=O)OC)n(C)c12.
What is the InChIKey of methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate?
The InChIKey is UGZKCFKIABOPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4/c1-5-10-13(18)8-6-11-12(7-9-14(20)22-3)16(17(21)23-4)19(2)15(10)11/h6,8H,5,7,9H2,1-4H3.
What are the key properties of methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate?
methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate has a molecular weight of 337.80 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-7-ethyl-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate is sourced from PubChem (CID 155122690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).