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

C21H26N4O — CID 84570648

IUPAC[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCc4ccccc4C3)nc2)CC1
InChIInChI=1S/C21H26N4O/c1-2-23-11-13-24(14-12-23)21(26)18-7-8-20(22-15-18)25-10-9-17-5-3-4-6-19(17)16-25/h3-8,15H,2,9-14,16H2,1H3
InChIKeyVTFTXUFWFOUJSB-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.42
Rot. Bonds3

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

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 84570648) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID84570648
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCc4ccccc4C3)nc2)CC1
InChIInChI=1S/C21H26N4O/c1-2-23-11-13-24(14-12-23)21(26)18-7-8-20(22-15-18)25-10-9-17-5-3-4-6-19(17)16-25/h3-8,15H,2,9-14,16H2,1H3
InChIKeyVTFTXUFWFOUJSB-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

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154697
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24695377
2-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112858045
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 84571048
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 84570649
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 84570648) is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(N3CCc4ccccc4C3)nc2)CC1.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is VTFTXUFWFOUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-23-11-13-24(14-12-23)21(26)18-7-8-20(22-15-18)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 [6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)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 [6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 84570648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).