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

C23H28N2O — CID 10405482

IUPAC2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(CCCCN2CCc3c(c4ccccc4n3C)C2)cc1
InChIInChI=1S/C23H28N2O/c1-24-22-9-4-3-8-20(22)21-17-25(16-14-23(21)24)15-6-5-7-18-10-12-19(26-2)13-11-18/h3-4,8-13H,5-7,14-17H2,1-2H3
InChIKeySZILRACVCKXHFI-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.57
Rot. Bonds6

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

2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 10405482) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID10405482
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(CCCCN2CCc3c(c4ccccc4n3C)C2)cc1
InChIInChI=1S/C23H28N2O/c1-24-22-9-4-3-8-20(22)21-17-25(16-14-23(21)24)15-6-5-7-18-10-12-19(26-2)13-11-18/h3-4,8-13H,5-7,14-17H2,1-2H3
InChIKeySZILRACVCKXHFI-UHFFFAOYSA-N
XLogP4.57
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 10405482) is 2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc(CCCCN2CCc3c(c4ccccc4n3C)C2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is SZILRACVCKXHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-24-22-9-4-3-8-20(22)21-17-25(16-14-23(21)24)15-6-5-7-18-10-12-19(26-2)13-11-18/h3-4,8-13H,5-7,14-17H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 348.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 10405482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).