benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate

C23H27N3O2 — CID 10199610

IUPACbenzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccc(NCCN3CCCC3)cc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C23H27N3O2/c1-17-22(23(27)28-16-18-7-3-2-4-8-18)20-15-19(9-10-21(20)25-17)24-11-14-26-12-5-6-13-26/h2-4,7-10,15,24-25H,5-6,11-14,16H2,1H3
InChIKeyFFLNPIGDEBJUAR-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.34
Rot. Bonds7

About benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate

benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate (PubChem CID 10199610) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate
PubChem CID10199610
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Namebenzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccc(NCCN3CCCC3)cc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C23H27N3O2/c1-17-22(23(27)28-16-18-7-3-2-4-8-18)20-15-19(9-10-21(20)25-17)24-11-14-26-12-5-6-13-26/h2-4,7-10,15,24-25H,5-6,11-14,16H2,1H3
InChIKeyFFLNPIGDEBJUAR-UHFFFAOYSA-N
XLogP4.34
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 10110089
benzyl 2-methyl-5-(pentafluoro-λ6-sulfanyl)-1H-indole-3-carboxylate
CID 132566613
benzyl 5-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-2-methyl-1H-indole-3-carboxylate
CID 10274503
benzyl 5-(4-chlorobutoxy)-2-methyl-1H-indole-3-carboxylate
CID 23393880
benzyl 5-(cyanomethoxy)-2-methyl-1H-indole-3-carboxylate
CID 23393884
benzyl 2-methyl-6-(pentafluoro-λ6-sulfanyl)-1H-indole-3-carboxylate
CID 132566619
benzyl 5-[2-[2-(cyclobutylmethyl)-5-methylpyrrolidin-1-yl]ethoxy]-2-methyl-1H-indole-3-carboxylate
CID 142169856
ethyl 2-methyl-5-(3-piperidin-1-ylpropoxy)-1H-indole-3-carboxylate
CID 127030511
2-methyl-4-(2-pyrrolidin-1-ylethylamino)benzoic acid
CID 81282265
2,3-dihydro-1H-inden-1-yl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 22311878
1-(2-bromophenyl)ethyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 22311954
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate?
The IUPAC name of benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate (CID 10199610) is benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate.
What is the SMILES notation for benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate?
The canonical SMILES for benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate is Cc1[nH]c2ccc(NCCN3CCCC3)cc2c1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate?
The InChIKey is FFLNPIGDEBJUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-22(23(27)28-16-18-7-3-2-4-8-18)20-15-19(9-10-21(20)25-17)24-11-14-26-12-5-6-13-26/h2-4,7-10,15,24-25H,5-6,11-14,16H2,1H3.
What are the key properties of benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate?
benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate is sourced from PubChem (CID 10199610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).