2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H26N2O2 — CID 10926167

IUPAC2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(OCCCN2CCc3c(c4ccccc4n3C)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-23-21-7-4-3-6-19(21)20-16-24(14-12-22(20)23)13-5-15-26-18-10-8-17(25-2)9-11-18/h3-4,6-11H,5,12-16H2,1-2H3
InChIKeyRZKWGELIDXAZFB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.01
Rot. Bonds6

About 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 10926167) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID10926167
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(OCCCN2CCc3c(c4ccccc4n3C)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-23-21-7-4-3-6-19(21)20-16-24(14-12-22(20)23)13-5-15-26-18-10-8-17(25-2)9-11-18/h3-4,6-11H,5,12-16H2,1-2H3
InChIKeyRZKWGELIDXAZFB-UHFFFAOYSA-N
XLogP4.01
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 10926167) is 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc(OCCCN2CCc3c(c4ccccc4n3C)C2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is RZKWGELIDXAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-23-21-7-4-3-6-19(21)20-16-24(14-12-22(20)23)13-5-15-26-18-10-8-17(25-2)9-11-18/h3-4,6-11H,5,12-16H2,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 350.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 10926167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).