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

C21H23FN2O — CID 10382508

IUPAC2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCn1c2c(c3ccccc31)CN(CCCOc1ccc(F)cc1)CC2
InChIInChI=1S/C21H23FN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3
InChIKeyJALBJZIGFXCLKJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.14
Rot. Bonds5

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

2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 10382508) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID10382508
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCn1c2c(c3ccccc31)CN(CCCOc1ccc(F)cc1)CC2
InChIInChI=1S/C21H23FN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3
InChIKeyJALBJZIGFXCLKJ-UHFFFAOYSA-N
XLogP4.14
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.14
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'}

Analyze 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 10382508) is 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is Cn1c2c(c3ccccc31)CN(CCCOc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is JALBJZIGFXCLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3.
What are the key properties of 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 338.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)propyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 10382508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).