isoquinolin-4-yl(pyridin-2-yl)methanone

C15H10N2O — CID 63940731

IUPACisoquinolin-4-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)c1cncc2ccccc12
InChIInChI=1S/C15H10N2O/c18-15(14-7-3-4-8-17-14)13-10-16-9-11-5-1-2-6-12(11)13/h1-10H
InChIKeyUKOFVZSJKLSOEI-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.86
Rot. Bonds2

About isoquinolin-4-yl(pyridin-2-yl)methanone

isoquinolin-4-yl(pyridin-2-yl)methanone (PubChem CID 63940731) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is isoquinolin-4-yl(pyridin-2-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-4-yl(pyridin-2-yl)methanone
PubChem CID63940731
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Nameisoquinolin-4-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)c1cncc2ccccc12
InChIInChI=1S/C15H10N2O/c18-15(14-7-3-4-8-17-14)13-10-16-9-11-5-1-2-6-12(11)13/h1-10H
InChIKeyUKOFVZSJKLSOEI-UHFFFAOYSA-N
XLogP2.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-4-yl(pyrimidin-2-yl)methanone
CID 63939192
(5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone
CID 116605172
(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
CID 107976832
isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone
CID 105099533
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
isoquinolin-4-yl-(4-methylsulfanylphenyl)methanone
CID 114971965
(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
CID 63939195
(4-bromo-3,5-dimethylphenyl)-isoquinolin-4-ylmethanone
CID 114329672
(4-amino-3,5-dichlorophenyl)-isoquinolin-4-ylmethanone
CID 116609827
(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone
CID 114885354

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl(pyridin-2-yl)methanone?
The IUPAC name of isoquinolin-4-yl(pyridin-2-yl)methanone (CID 63940731) is isoquinolin-4-yl(pyridin-2-yl)methanone.
What is the SMILES notation for isoquinolin-4-yl(pyridin-2-yl)methanone?
The canonical SMILES for isoquinolin-4-yl(pyridin-2-yl)methanone is O=C(c1ccccn1)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl(pyridin-2-yl)methanone?
The InChIKey is UKOFVZSJKLSOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c18-15(14-7-3-4-8-17-14)13-10-16-9-11-5-1-2-6-12(11)13/h1-10H.
What are the key properties of isoquinolin-4-yl(pyridin-2-yl)methanone?
isoquinolin-4-yl(pyridin-2-yl)methanone has a molecular weight of 234.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl(pyridin-2-yl)methanone is sourced from PubChem (CID 63940731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).