methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate

C15H14N2O3 — CID 166634464

IUPACmethyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate
SMILESCCc1c2nc3ccccc3c-2cc(C(=O)OC)n1O
InChIInChI=1S/C15H14N2O3/c1-3-12-14-10(8-13(17(12)19)15(18)20-2)9-6-4-5-7-11(9)16-14/h4-8,19H,3H2,1-2H3
InChIKeyDJEQRBYVRQOWBE-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.73
Rot. Bonds2

About methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate

methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate (PubChem CID 166634464) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate
PubChem CID166634464
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate
SMILESCCc1c2nc3ccccc3c-2cc(C(=O)OC)n1O
InChIInChI=1S/C15H14N2O3/c1-3-12-14-10(8-13(17(12)19)15(18)20-2)9-6-4-5-7-11(9)16-14/h4-8,19H,3H2,1-2H3
InChIKeyDJEQRBYVRQOWBE-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate (CID 166634464) is methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate is CCc1c2nc3ccccc3c-2cc(C(=O)OC)n1O.
What is the InChIKey of methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate?
The InChIKey is DJEQRBYVRQOWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-3-12-14-10(8-13(17(12)19)15(18)20-2)9-6-4-5-7-11(9)16-14/h4-8,19H,3H2,1-2H3.
What are the key properties of methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate?
methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-2-hydroxypyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 166634464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).