[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate

C16H19N3O5 — CID 174680738

IUPAC[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate
SMILESO=COc1c(O)ccc2[nH]c(C(=O)NCCN3CCOCC3)cc12
InChIInChI=1S/C16H19N3O5/c20-10-24-15-11-9-13(18-12(11)1-2-14(15)21)16(22)17-3-4-19-5-7-23-8-6-19/h1-2,9-10,18,21H,3-8H2,(H,17,22)
InChIKeyUDTIUIFOXHBSRH-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.47
Rot. Bonds6

About [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate

[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate (PubChem CID 174680738) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate.

Molecular Properties

Compound Name[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate
PubChem CID174680738
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate
SMILESO=COc1c(O)ccc2[nH]c(C(=O)NCCN3CCOCC3)cc12
InChIInChI=1S/C16H19N3O5/c20-10-24-15-11-9-13(18-12(11)1-2-14(15)21)16(22)17-3-4-19-5-7-23-8-6-19/h1-2,9-10,18,21H,3-8H2,(H,17,22)
InChIKeyUDTIUIFOXHBSRH-UHFFFAOYSA-N
XLogP0.47
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid
CID 19608777
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 154116724
(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
CID 51057245
4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 170575734
N-(2-morpholin-4-ylethyl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332072
6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid
CID 163332628
2-hydroxy-5-iodo-N-(2-morpholin-4-ylethyl)benzamide
CID 103600398
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
4-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110332223

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate?
The IUPAC name of [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate (CID 174680738) is [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate.
What is the SMILES notation for [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate?
The canonical SMILES for [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate is O=COc1c(O)ccc2[nH]c(C(=O)NCCN3CCOCC3)cc12.
What is the InChIKey of [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate?
The InChIKey is UDTIUIFOXHBSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c20-10-24-15-11-9-13(18-12(11)1-2-14(15)21)16(22)17-3-4-19-5-7-23-8-6-19/h1-2,9-10,18,21H,3-8H2,(H,17,22).
What are the key properties of [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate?
[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate has a molecular weight of 333.34 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate is sourced from PubChem (CID 174680738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).