2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

C19H20N2O — CID 791221

IUPAC2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCOc1ccccc1CN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H20N2O/c1-22-19-9-5-2-6-14(19)12-21-11-10-16-15-7-3-4-8-17(15)20-18(16)13-21/h2-9,20H,10-13H2,1H3
InChIKeyAUAIQNLWRDBYKA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.73
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 791221) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID791221
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCOc1ccccc1CN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H20N2O/c1-22-19-9-5-2-6-14(19)12-21-11-10-16-15-7-3-4-8-17(15)20-18(16)13-21/h2-9,20H,10-13H2,1H3
InChIKeyAUAIQNLWRDBYKA-UHFFFAOYSA-N
XLogP3.73
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 791221) is 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole is COc1ccccc1CN1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is AUAIQNLWRDBYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-22-19-9-5-2-6-14(19)12-21-11-10-16-15-7-3-4-8-17(15)20-18(16)13-21/h2-9,20H,10-13H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 292.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 791221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).