3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone

C21H26N4O — CID 109154697

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cn2)CC1
InChIInChI=1S/C21H26N4O/c1-2-23-11-13-24(14-12-23)20-8-7-18(15-22-20)21(26)25-10-9-17-5-3-4-6-19(17)16-25/h3-8,15H,2,9-14,16H2,1H3
InChIKeyKOSCXPIXFSDVJO-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.42
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 109154697) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID109154697
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cn2)CC1
InChIInChI=1S/C21H26N4O/c1-2-23-11-13-24(14-12-23)20-8-7-18(15-22-20)21(26)25-10-9-17-5-3-4-6-19(17)16-25/h3-8,15H,2,9-14,16H2,1H3
InChIKeyKOSCXPIXFSDVJO-UHFFFAOYSA-N
XLogP2.42
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 84570648
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109157533
ethyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]piperazine-1-carboxylate
CID 109172337
1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155110
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2-ethylanilino)pyrimidin-5-yl]methanone
CID 109259661
2-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112858045
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone (CID 109154697) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone is CCN1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cn2)CC1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is KOSCXPIXFSDVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-23-11-13-24(14-12-23)20-8-7-18(15-22-20)21(26)25-10-9-17-5-3-4-6-19(17)16-25/h3-8,15H,2,9-14,16H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone has a molecular weight of 350.47 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109154697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).