2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline

C16H18N2 — CID 119103449

IUPAC2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(c1ccncc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H18N2/c1-13(14-6-9-17-10-7-14)18-11-8-15-4-2-3-5-16(15)12-18/h2-7,9-10,13H,8,11-12H2,1H3
InChIKeyBNSGIKDVOFPJOS-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.20
Rot. Bonds2

About 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline

2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 119103449) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID119103449
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(c1ccncc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H18N2/c1-13(14-6-9-17-10-7-14)18-11-8-15-4-2-3-5-16(15)12-18/h2-7,9-10,13H,8,11-12H2,1H3
InChIKeyBNSGIKDVOFPJOS-UHFFFAOYSA-N
XLogP3.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
3-tert-butyl-5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,2,4-oxadiazole
CID 42943609
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutanoic acid
CID 79406087
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
4-chloro-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 82975216
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956253
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
2-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]phenol
CID 82979640
1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
CID 63154944
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine
CID 43829488

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline (CID 119103449) is 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline is CC(c1ccncc1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is BNSGIKDVOFPJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-13(14-6-9-17-10-7-14)18-11-8-15-4-2-3-5-16(15)12-18/h2-7,9-10,13H,8,11-12H2,1H3.
What are the key properties of 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline?
2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 238.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 119103449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).