8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C20H21FN2 — CID 46225000

IUPAC8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2CCc2ccccc2)C1
InChIInChI=1S/C20H21FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKeyIWEWIZBBORJKBV-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.01
Rot. Bonds3

About 8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 46225000) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID46225000
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2CCc2ccccc2)C1
InChIInChI=1S/C20H21FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKeyIWEWIZBBORJKBV-UHFFFAOYSA-N
XLogP4.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
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-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 46225000) is 8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(F)ccc3n2CCc2ccccc2)C1.
What is the InChIKey of 8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is IWEWIZBBORJKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 308.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46225000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).