6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline

C22H21FN2 — CID 18675892

IUPAC6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline
SMILESFc1cccc(C2=CCN(CCc3ccc4cnccc4c3)CC2)c1
InChIInChI=1S/C22H21FN2/c23-22-3-1-2-19(15-22)18-8-12-25(13-9-18)11-7-17-4-5-21-16-24-10-6-20(21)14-17/h1-6,8,10,14-16H,7,9,11-13H2
InChIKeySBTXOSHROSRYGB-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.71
Rot. Bonds4

About 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline

6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline (PubChem CID 18675892) has the molecular formula C22H21FN2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline.

Molecular Properties

Compound Name6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline
PubChem CID18675892
Molecular FormulaC22H21FN2
Molecular Weight332.42 g/mol
Exact Mass332.17
IUPAC Name6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline
SMILESFc1cccc(C2=CCN(CCc3ccc4cnccc4c3)CC2)c1
InChIInChI=1S/C22H21FN2/c23-22-3-1-2-19(15-22)18-8-12-25(13-9-18)11-7-17-4-5-21-16-24-10-6-20(21)14-17/h1-6,8,10,14-16H,7,9,11-13H2
InChIKeySBTXOSHROSRYGB-UHFFFAOYSA-N
XLogP4.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 59654337
1-[2-(6,7-dimethoxynaphthalen-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 19962077
1-[2-(1-benzothiophen-6-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 23438895
1-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 23435945
1-[2-(3-methylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 142244772
1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 19350858
3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine
CID 87204618
1-[2-(4-butoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 70077325
1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 19612154
3-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine;hydrate;dihydrochloride
CID 173365189
4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine
CID 142809796
3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine
CID 57217093

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline?
The IUPAC name of 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline (CID 18675892) is 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline.
What is the SMILES notation for 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline?
The canonical SMILES for 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline is Fc1cccc(C2=CCN(CCc3ccc4cnccc4c3)CC2)c1.
What is the InChIKey of 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline?
The InChIKey is SBTXOSHROSRYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2/c23-22-3-1-2-19(15-22)18-8-12-25(13-9-18)11-7-17-4-5-21-16-24-10-6-20(21)14-17/h1-6,8,10,14-16H,7,9,11-13H2.
What are the key properties of 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline?
6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline has a molecular weight of 332.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline is sourced from PubChem (CID 18675892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).