6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline

C24H23FN2 — CID 171968784

IUPAC6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline
SMILESFc1cc2ncccc2cc1C1=CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H23FN2/c25-23-15-24-18(8-5-11-26-24)14-22(23)19-12-20-9-4-10-21(13-19)27(20)16-17-6-2-1-3-7-17/h1-3,5-8,11-12,14-15,20-21H,4,9-10,13,16H2
InChIKeyAXEZEPOLFPYJCU-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.58
Rot. Bonds3

About 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline

6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline (PubChem CID 171968784) has the molecular formula C24H23FN2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline.

Molecular Properties

Compound Name6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline
PubChem CID171968784
Molecular FormulaC24H23FN2
Molecular Weight358.46 g/mol
Exact Mass358.18
IUPAC Name6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline
SMILESFc1cc2ncccc2cc1C1=CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H23FN2/c25-23-15-24-18(8-5-11-26-24)14-22(23)19-12-20-9-4-10-21(13-19)27(20)16-17-6-2-1-3-7-17/h1-3,5-8,11-12,14-15,20-21H,4,9-10,13,16H2
InChIKeyAXEZEPOLFPYJCU-UHFFFAOYSA-N
XLogP5.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline with MolForge

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Related Compounds

6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824
9-benzyl-3-(2,6-difluoro-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971818
9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973036
9-benzyl-3-(3,4-difluoro-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971182
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666
9-benzyl-3-(4-chloro-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971662
8-benzyl-3-phenanthren-9-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171967825
9-benzyl-3-(2-fluoro-6-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971644
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971649
9-benzyl-3-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971041
9-benzyl-3-(2-chloro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971661
2-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyridine-4-carbonitrile
CID 171971431

Frequently Asked Questions

What is the IUPAC name of 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline?
The IUPAC name of 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline (CID 171968784) is 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline.
What is the SMILES notation for 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline?
The canonical SMILES for 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline is Fc1cc2ncccc2cc1C1=CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline?
The InChIKey is AXEZEPOLFPYJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2/c25-23-15-24-18(8-5-11-26-24)14-22(23)19-12-20-9-4-10-21(13-19)27(20)16-17-6-2-1-3-7-17/h1-3,5-8,11-12,14-15,20-21H,4,9-10,13,16H2.
What are the key properties of 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline?
6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline has a molecular weight of 358.46 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline is sourced from PubChem (CID 171968784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).