6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one

C20H23N3O — CID 25217893

IUPAC6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(-c3ccncc3)cc2CCN1CCN1CCCC1
InChIInChI=1S/C20H23N3O/c24-20-19-4-3-17(16-5-8-21-9-6-16)15-18(19)7-12-23(20)14-13-22-10-1-2-11-22/h3-6,8-9,15H,1-2,7,10-14H2
InChIKeyOYOUUSCAVHSQKA-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.84
Rot. Bonds4

About 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one

6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 25217893) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
PubChem CID25217893
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(-c3ccncc3)cc2CCN1CCN1CCCC1
InChIInChI=1S/C20H23N3O/c24-20-19-4-3-17(16-5-8-21-9-6-16)15-18(19)7-12-23(20)14-13-22-10-1-2-11-22/h3-6,8-9,15H,1-2,7,10-14H2
InChIKeyOYOUUSCAVHSQKA-UHFFFAOYSA-N
XLogP2.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one (CID 25217893) is 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccc(-c3ccncc3)cc2CCN1CCN1CCCC1.
What is the InChIKey of 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is OYOUUSCAVHSQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20-19-4-3-17(16-5-8-21-9-6-16)15-18(19)7-12-23(20)14-13-22-10-1-2-11-22/h3-6,8-9,15H,1-2,7,10-14H2.
What are the key properties of 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one?
6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 321.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 25217893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).