2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one

C19H15N3O — CID 175798971

IUPAC2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1cncc(-c2ccccn2)c1
InChIInChI=1S/C19H15N3O/c23-19-17-6-2-1-5-14(17)8-10-22(19)16-11-15(12-20-13-16)18-7-3-4-9-21-18/h1-7,9,11-13H,8,10H2
InChIKeyBODXMFFKEWLGRO-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.35
Rot. Bonds2

About 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one

2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 175798971) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one
PubChem CID175798971
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1cncc(-c2ccccn2)c1
InChIInChI=1S/C19H15N3O/c23-19-17-6-2-1-5-14(17)8-10-22(19)16-11-15(12-20-13-16)18-7-3-4-9-21-18/h1-7,9,11-13H,8,10H2
InChIKeyBODXMFFKEWLGRO-UHFFFAOYSA-N
XLogP3.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
CID 162411667
2-[3-(hydroxymethyl)phenyl]-3,4-dihydroisoquinolin-1-one
CID 104549148
2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one
CID 126575246
2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one
CID 172784232
1-(3,5-dipyridin-2-ylphenyl)pyrrolidin-2-one
CID 172517347
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
2-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)phenoxy]acetonitrile
CID 83090963
2-[4-(1-oxo-3,4-dihydroisoquinolin-2-yl)phenyl]acetonitrile
CID 83083977
2-[3-(1-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-one
CID 83083752
(E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal
CID 22735171
6-chloro-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 86685963
6-chloro-2-(5-methylsulfinyl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one
CID 86685996

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one (CID 175798971) is 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1c1cncc(-c2ccccn2)c1.
What is the InChIKey of 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is BODXMFFKEWLGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-19-17-6-2-1-5-14(17)8-10-22(19)16-11-15(12-20-13-16)18-7-3-4-9-21-18/h1-7,9,11-13H,8,10H2.
What are the key properties of 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one?
2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 301.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 175798971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).