2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one

C21H26N4O — CID 44582461

IUPAC2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H26N4O/c26-21-19-7-2-1-6-18(19)9-13-25(21)12-5-11-23-14-16-24(17-15-23)20-8-3-4-10-22-20/h1-4,6-8,10H,5,9,11-17H2
InChIKeyICNBRZLPNIRJTH-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.29
Rot. Bonds5

About 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one

2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 44582461) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one
PubChem CID44582461
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H26N4O/c26-21-19-7-2-1-6-18(19)9-13-25(21)12-5-11-23-14-16-24(17-15-23)20-8-3-4-10-22-20/h1-4,6-8,10H,5,9,11-17H2
InChIKeyICNBRZLPNIRJTH-UHFFFAOYSA-N
XLogP2.29
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one (CID 44582461) is 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1CCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is ICNBRZLPNIRJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21-19-7-2-1-6-18(19)9-13-25(21)12-5-11-23-14-16-24(17-15-23)20-8-3-4-10-22-20/h1-4,6-8,10H,5,9,11-17H2.
What are the key properties of 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one?
2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 350.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 44582461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).