[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C21H24N4O2 — CID 109096664

IUPAC[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(C(=O)N3CCc4ccccc4C3)n2)CC1
InChIInChI=1S/C21H24N4O2/c1-23-11-13-24(14-12-23)20(26)18-7-4-8-19(22-18)21(27)25-10-9-16-5-2-3-6-17(16)15-25/h2-8H,9-15H2,1H3
InChIKeyHUORTMILHFINSG-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.67
Rot. Bonds2

About [6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109096664) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109096664
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(C(=O)N3CCc4ccccc4C3)n2)CC1
InChIInChI=1S/C21H24N4O2/c1-23-11-13-24(14-12-23)20(26)18-7-4-8-19(22-18)21(27)25-10-9-16-5-2-3-6-17(16)15-25/h2-8H,9-15H2,1H3
InChIKeyHUORTMILHFINSG-UHFFFAOYSA-N
XLogP1.67
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
3,4-dihydro-1H-isoquinolin-2-yl-[6-(ethylamino)-2-pyridinyl]methanone
CID 62238754
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
CID 109098517
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109098513
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115497823
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944341
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109097816

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109096664) is [6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccc(C(=O)N3CCc4ccccc4C3)n2)CC1.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HUORTMILHFINSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23-11-13-24(14-12-23)20(26)18-7-4-8-19(22-18)21(27)25-10-9-16-5-2-3-6-17(16)15-25/h2-8H,9-15H2,1H3.
What are the key properties of [6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 1.67, 2 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-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109096664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).