1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one

C19H25N3O3 — CID 134115155

IUPAC1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nccc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C19H25N3O3/c1-4-5-18(23)21-8-10-22(11-9-21)19-15-13-17(25-3)16(24-2)12-14(15)6-7-20-19/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyBCFYAAPCOFNWJW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.70
Rot. Bonds5

About 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one

1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one (PubChem CID 134115155) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one
PubChem CID134115155
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nccc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C19H25N3O3/c1-4-5-18(23)21-8-10-22(11-9-21)19-15-13-17(25-3)16(24-2)12-14(15)6-7-20-19/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyBCFYAAPCOFNWJW-UHFFFAOYSA-N
XLogP2.70
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxy-2-methylpropyl) 4-(6,7-dimethoxyisoquinolin-1-yl)piperazine-1-carboxylate
CID 134115120
1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol
CID 106541497
1-[3-(chloromethyl)pyrrolidin-1-yl]-6,7-dimethoxyisoquinoline
CID 106542621
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydron;chloride
CID 45108257
(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
CID 106541180
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
CID 11645449
1-[4-(4-amino-6,7-dimethoxyquinazolin-3-ium-2-yl)-1,4-diazepan-1-yl]butan-1-one
CID 51375273
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7540427
N-(3,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
CID 53010007
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110805950

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one (CID 134115155) is 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2nccc3cc(OC)c(OC)cc23)CC1.
What is the InChIKey of 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one?
The InChIKey is BCFYAAPCOFNWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-5-18(23)21-8-10-22(11-9-21)19-15-13-17(25-3)16(24-2)12-14(15)6-7-20-19/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one?
1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 134115155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).