4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one

C16H12N2O — CID 69207247

IUPAC4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(C=Cc2cccnc2)c2ccccc12
InChIInChI=1S/C16H12N2O/c19-16-15-6-2-1-5-14(15)13(11-18-16)8-7-12-4-3-9-17-10-12/h1-11H,(H,18,19)
InChIKeyMYHWJXSLADOJMZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.09
Rot. Bonds2

About 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one

4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one (PubChem CID 69207247) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one
PubChem CID69207247
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(C=Cc2cccnc2)c2ccccc12
InChIInChI=1S/C16H12N2O/c19-16-15-6-2-1-5-14(15)13(11-18-16)8-7-12-4-3-9-17-10-12/h1-11H,(H,18,19)
InChIKeyMYHWJXSLADOJMZ-UHFFFAOYSA-N
XLogP3.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one?
The IUPAC name of 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one (CID 69207247) is 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one?
The canonical SMILES for 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one is O=c1[nH]cc(C=Cc2cccnc2)c2ccccc12.
What is the InChIKey of 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one?
The InChIKey is MYHWJXSLADOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-15-6-2-1-5-14(15)13(11-18-16)8-7-12-4-3-9-17-10-12/h1-11H,(H,18,19).
What are the key properties of 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one?
4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one has a molecular weight of 248.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 69207247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).