2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate

C15H14N2O3 — CID 12957535

IUPAC2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H14N2O3/c1-19-6-7-20-15(18)13-8-11-10-4-2-3-5-12(10)17-14(11)9-16-13/h2-5,8-9,17H,6-7H2,1H3
InChIKeyXDLUTHCPIXSFFT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.52
Rot. Bonds4

About 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate

2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 12957535) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID12957535
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H14N2O3/c1-19-6-7-20-15(18)13-8-11-10-4-2-3-5-12(10)17-14(11)9-16-13/h2-5,8-9,17H,6-7H2,1H3
InChIKeyXDLUTHCPIXSFFT-UHFFFAOYSA-N
XLogP2.52
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate (CID 12957535) is 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate is COCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is XDLUTHCPIXSFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-6-7-20-15(18)13-8-11-10-4-2-3-5-12(10)17-14(11)9-16-13/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate?
2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 12957535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).