6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole

C23H24N2O — CID 68762162

IUPAC6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole
SMILESCCCCCc1ccc2c(n1)[nH]c1ccc(-c3ccc(OC)cc3)cc12
InChIInChI=1S/C23H24N2O/c1-3-4-5-6-18-10-13-20-21-15-17(9-14-22(21)25-23(20)24-18)16-7-11-19(26-2)12-8-16/h7-15H,3-6H2,1-2H3,(H,24,25)
InChIKeyWFZVZOQFVQPMBS-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.12
Rot. Bonds6

About 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole

6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole (PubChem CID 68762162) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole
PubChem CID68762162
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole
SMILESCCCCCc1ccc2c(n1)[nH]c1ccc(-c3ccc(OC)cc3)cc12
InChIInChI=1S/C23H24N2O/c1-3-4-5-6-18-10-13-20-21-15-17(9-14-22(21)25-23(20)24-18)16-7-11-19(26-2)12-8-16/h7-15H,3-6H2,1-2H3,(H,24,25)
InChIKeyWFZVZOQFVQPMBS-UHFFFAOYSA-N
XLogP6.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole (CID 68762162) is 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole is CCCCCc1ccc2c(n1)[nH]c1ccc(-c3ccc(OC)cc3)cc12.
What is the InChIKey of 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole?
The InChIKey is WFZVZOQFVQPMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-3-4-5-6-18-10-13-20-21-15-17(9-14-22(21)25-23(20)24-18)16-7-11-19(26-2)12-8-16/h7-15H,3-6H2,1-2H3,(H,24,25).
What are the key properties of 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole?
6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole has a molecular weight of 344.46 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 68762162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).