8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole

C19H18F2N2 — CID 123498666

IUPAC8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESFc1ccc2c(c1)c1c(n2CCc2ccccc2F)CCNC1
InChIInChI=1S/C19H18F2N2/c20-14-5-6-18-15(11-14)16-12-22-9-7-19(16)23(18)10-8-13-3-1-2-4-17(13)21/h1-6,11,22H,7-10,12H2
InChIKeyOAHPXRQHADWGHN-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.81
Rot. Bonds3

About 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole

8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 123498666) has the molecular formula C19H18F2N2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID123498666
Molecular FormulaC19H18F2N2
Molecular Weight312.36 g/mol
Exact Mass312.14
IUPAC Name8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESFc1ccc2c(c1)c1c(n2CCc2ccccc2F)CCNC1
InChIInChI=1S/C19H18F2N2/c20-14-5-6-18-15(11-14)16-12-22-9-7-19(16)23(18)10-8-13-3-1-2-4-17(13)21/h1-6,11,22H,7-10,12H2
InChIKeyOAHPXRQHADWGHN-UHFFFAOYSA-N
XLogP3.81
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.81
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 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 123498666) is 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole is Fc1ccc2c(c1)c1c(n2CCc2ccccc2F)CCNC1.
What is the InChIKey of 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is OAHPXRQHADWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2/c20-14-5-6-18-15(11-14)16-12-22-9-7-19(16)23(18)10-8-13-3-1-2-4-17(13)21/h1-6,11,22H,7-10,12H2.
What are the key properties of 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole?
8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 312.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 123498666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).