2-pyrimidin-2-ylisoquinolin-1-one

C13H9N3O — CID 132933193

IUPAC2-pyrimidin-2-ylisoquinolin-1-one
SMILESO=c1c2ccccc2ccn1-c1ncccn1
InChIInChI=1S/C13H9N3O/c17-12-11-5-2-1-4-10(11)6-9-16(12)13-14-7-3-8-15-13/h1-9H
InChIKeyYXQNKIQDTFALLG-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.78
Rot. Bonds1

About 2-pyrimidin-2-ylisoquinolin-1-one

2-pyrimidin-2-ylisoquinolin-1-one (PubChem CID 132933193) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-pyrimidin-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name2-pyrimidin-2-ylisoquinolin-1-one
PubChem CID132933193
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name2-pyrimidin-2-ylisoquinolin-1-one
SMILESO=c1c2ccccc2ccn1-c1ncccn1
InChIInChI=1S/C13H9N3O/c17-12-11-5-2-1-4-10(11)6-9-16(12)13-14-7-3-8-15-13/h1-9H
InChIKeyYXQNKIQDTFALLG-UHFFFAOYSA-N
XLogP1.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)isoquinolin-1-one
CID 156767653
ethane;2-(4-methylphenyl)isoquinolin-1-one
CID 91168676
4-(1-oxoisoquinolin-2-yl)benzaldehyde
CID 123457542
[1,3]diazepino[1,2-b]isoindol-7-one
CID 57033630
pyrimido[6,1-a]isoquinolin-4-one;hydrochloride
CID 19881213
2-[(2S)-2-aminopropyl]isoquinolin-1-one
CID 103934884
2-(1-methylcyclopropyl)isoquinolin-1-one
CID 154466970
1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
2,3-dimethylisoquinolin-1-one;ethane
CID 91490725
2-[2-chloro-5-(1-methylpyrrolidin-2-yl)-4-pyridinyl]isoquinolin-1-one
CID 132535313
2-(1-oxoisoquinolin-2-yl)propanenitrile
CID 13210714
2-(1-azabicyclo[2.2.2]octan-4-yl)isoquinolin-1-one
CID 54464177

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylisoquinolin-1-one?
The IUPAC name of 2-pyrimidin-2-ylisoquinolin-1-one (CID 132933193) is 2-pyrimidin-2-ylisoquinolin-1-one.
What is the SMILES notation for 2-pyrimidin-2-ylisoquinolin-1-one?
The canonical SMILES for 2-pyrimidin-2-ylisoquinolin-1-one is O=c1c2ccccc2ccn1-c1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylisoquinolin-1-one?
The InChIKey is YXQNKIQDTFALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-12-11-5-2-1-4-10(11)6-9-16(12)13-14-7-3-8-15-13/h1-9H.
What are the key properties of 2-pyrimidin-2-ylisoquinolin-1-one?
2-pyrimidin-2-ylisoquinolin-1-one has a molecular weight of 223.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylisoquinolin-1-one is sourced from PubChem (CID 132933193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).