2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one

C14H12N2O — CID 162411667

IUPAC2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1ccccn1
InChIInChI=1S/C14H12N2O/c17-14-12-6-2-1-5-11(12)8-10-16(14)13-7-3-4-9-15-13/h1-7,9H,8,10H2
InChIKeyAZXUGPFLZWWHJZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.28
Rot. Bonds1

About 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one

2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 162411667) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
PubChem CID162411667
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1ccccn1
InChIInChI=1S/C14H12N2O/c17-14-12-6-2-1-5-11(12)8-10-16(14)13-7-3-4-9-15-13/h1-7,9H,8,10H2
InChIKeyAZXUGPFLZWWHJZ-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one (CID 162411667) is 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is AZXUGPFLZWWHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-12-6-2-1-5-11(12)8-10-16(14)13-7-3-4-9-15-13/h1-7,9H,8,10H2.
What are the key properties of 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one?
2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 162411667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).