2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate

C14H16N2O3 — CID 79346688

IUPAC2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
SMILESO=C(OCCO)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C14H16N2O3/c17-7-8-19-14(18)16-6-5-13-11(9-16)10-3-1-2-4-12(10)15-13/h1-4,15,17H,5-9H2
InChIKeyRZIRORPPFLJVKQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.65
Rot. Bonds2

About 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate

2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate (PubChem CID 79346688) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
PubChem CID79346688
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
SMILESO=C(OCCO)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C14H16N2O3/c17-7-8-19-14(18)16-6-5-13-11(9-16)10-3-1-2-4-12(10)15-13/h1-4,15,17H,5-9H2
InChIKeyRZIRORPPFLJVKQ-UHFFFAOYSA-N
XLogP1.65
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
N-hydroxy-8-oxo-8-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)octanamide
CID 155670972
N-hydroxy-6-oxo-6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexanamide
CID 155670974
[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl] 3-aminopyrazine-2-carboxylate
CID 30256642
morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984
1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexan-1-one
CID 36804449
2-(2-sulfanylideneimidazolidin-1-yl)ethyl 1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 6736641
2-[2-(diethylamino)ethoxy]ethyl 1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 6734862
[4-[hydroxy(oxido)amino]phenyl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 163134298
2-piperidin-1-ium-1-yl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 6954140

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate (CID 79346688) is 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate is O=C(OCCO)N1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
The InChIKey is RZIRORPPFLJVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-7-8-19-14(18)16-6-5-13-11(9-16)10-3-1-2-4-12(10)15-13/h1-4,15,17H,5-9H2.
What are the key properties of 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate is sourced from PubChem (CID 79346688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).