8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole

C14H17FN2 — CID 84740959

IUPAC8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCn1c2c(c3cccc(F)c31)CC(C)(C)NC2
InChIInChI=1S/C14H17FN2/c1-14(2)7-10-9-5-4-6-11(15)13(9)17(3)12(10)8-16-14/h4-6,16H,7-8H2,1-3H3
InChIKeyQUDGIEZXKQMDLC-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.74
Rot. Bonds

About 8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole

8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 84740959) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID84740959
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCn1c2c(c3cccc(F)c31)CC(C)(C)NC2
InChIInChI=1S/C14H17FN2/c1-14(2)7-10-9-5-4-6-11(15)13(9)17(3)12(10)8-16-14/h4-6,16H,7-8H2,1-3H3
InChIKeyQUDGIEZXKQMDLC-UHFFFAOYSA-N
XLogP2.74
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.74
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-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole (CID 84740959) is 8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole is Cn1c2c(c3cccc(F)c31)CC(C)(C)NC2.
What is the InChIKey of 8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is QUDGIEZXKQMDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-14(2)7-10-9-5-4-6-11(15)13(9)17(3)12(10)8-16-14/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 232.30 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 84740959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).