6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

C22H20FN3 — CID 15599293

IUPAC6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESFc1ccc2[nH]c3c(c2c1)CCN(CCc1ccc2ccccc2n1)C3
InChIInChI=1S/C22H20FN3/c23-16-6-8-21-19(13-16)18-10-12-26(14-22(18)25-21)11-9-17-7-5-15-3-1-2-4-20(15)24-17/h1-8,13,25H,9-12,14H2
InChIKeyHCVJCBSIUZWNIM-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.46
Rot. Bonds3

About 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 15599293) has the molecular formula C22H20FN3 and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID15599293
Molecular FormulaC22H20FN3
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC Name6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESFc1ccc2[nH]c3c(c2c1)CCN(CCc1ccc2ccccc2n1)C3
InChIInChI=1S/C22H20FN3/c23-16-6-8-21-19(13-16)18-10-12-26(14-22(18)25-21)11-9-17-7-5-15-3-1-2-4-20(15)24-17/h1-8,13,25H,9-12,14H2
InChIKeyHCVJCBSIUZWNIM-UHFFFAOYSA-N
XLogP4.46
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.46
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 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 15599293) is 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is Fc1ccc2[nH]c3c(c2c1)CCN(CCc1ccc2ccccc2n1)C3.
What is the InChIKey of 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is HCVJCBSIUZWNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3/c23-16-6-8-21-19(13-16)18-10-12-26(14-22(18)25-21)11-9-17-7-5-15-3-1-2-4-20(15)24-17/h1-8,13,25H,9-12,14H2.
What are the key properties of 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 345.42 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-quinolin-2-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 15599293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).