methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate

C17H17NO5S — CID 66667770

IUPACmethyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCOCCS(=O)(=O)c1ccc2c(C(=O)OC)c3ccccc3n2c1
InChIInChI=1S/C17H17NO5S/c1-22-9-10-24(20,21)12-7-8-15-16(17(19)23-2)13-5-3-4-6-14(13)18(15)11-12/h3-8,11H,9-10H2,1-2H3
InChIKeyWZBDUWCWTJTVFO-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.30
Rot. Bonds5

About methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate

methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667770) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66667770
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Namemethyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCOCCS(=O)(=O)c1ccc2c(C(=O)OC)c3ccccc3n2c1
InChIInChI=1S/C17H17NO5S/c1-22-9-10-24(20,21)12-7-8-15-16(17(19)23-2)13-5-3-4-6-14(13)18(15)11-12/h3-8,11H,9-10H2,1-2H3
InChIKeyWZBDUWCWTJTVFO-UHFFFAOYSA-N
XLogP2.30
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
CID 66667458
methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667573
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
methyl 7-(2-methylsulfinylacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667983
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]pyrido[1,2-a]indole-10-carboxylate
CID 66666905
methyl 7-(2-chloroethylsulfinyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667495
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
methyl 7-(2-morpholin-4-ylacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667489
methyl 7-(morpholine-4-carbonyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667084
N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide
CID 66667583
2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate
CID 66666818

Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate (CID 66667770) is methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate is COCCS(=O)(=O)c1ccc2c(C(=O)OC)c3ccccc3n2c1.
What is the InChIKey of methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is WZBDUWCWTJTVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-22-9-10-24(20,21)12-7-8-15-16(17(19)23-2)13-5-3-4-6-14(13)18(15)11-12/h3-8,11H,9-10H2,1-2H3.
What are the key properties of methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate?
methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 347.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).