1-isoquinolin-5-yl-2-pyridin-2-ylethanone

C16H12N2O — CID 62812997

IUPAC1-isoquinolin-5-yl-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cccc2cnccc12
InChIInChI=1S/C16H12N2O/c19-16(10-13-5-1-2-8-18-13)15-6-3-4-12-11-17-9-7-14(12)15/h1-9,11H,10H2
InChIKeyCNBAJPCLQHVSRY-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.06
Rot. Bonds3

About 1-isoquinolin-5-yl-2-pyridin-2-ylethanone

1-isoquinolin-5-yl-2-pyridin-2-ylethanone (PubChem CID 62812997) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-isoquinolin-5-yl-2-pyridin-2-ylethanone
PubChem CID62812997
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1-isoquinolin-5-yl-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cccc2cnccc12
InChIInChI=1S/C16H12N2O/c19-16(10-13-5-1-2-8-18-13)15-6-3-4-12-11-17-9-7-14(12)15/h1-9,11H,10H2
InChIKeyCNBAJPCLQHVSRY-UHFFFAOYSA-N
XLogP3.06
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-isoquinolin-5-ylbutan-1-one
CID 66047534
2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone
CID 62813173
1-isoquinolin-5-yl-2-methylsulfanylethanone
CID 62813335
4-hydroxy-1-isoquinolin-5-ylbutan-1-one
CID 106677466
2-anilino-1-isoquinolin-5-ylethanone
CID 116555474
1-isoquinolin-5-yl-2-methylsulfonylethanone
CID 55119378
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
2-tert-butylsulfanyl-1-isoquinolin-5-ylethanone
CID 65133357
1-isoquinolin-5-yl-4-methylpentan-1-one
CID 62813326
2-isoquinolin-5-ylbenzamide
CID 39817654
1-isoquinolin-5-yl-3-(propan-2-ylamino)propan-1-one
CID 116556574
N,N-diethylisoquinoline-5-carboxamide
CID 86202974

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-2-pyridin-2-ylethanone?
The IUPAC name of 1-isoquinolin-5-yl-2-pyridin-2-ylethanone (CID 62812997) is 1-isoquinolin-5-yl-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-isoquinolin-5-yl-2-pyridin-2-ylethanone?
The canonical SMILES for 1-isoquinolin-5-yl-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-2-pyridin-2-ylethanone?
The InChIKey is CNBAJPCLQHVSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(10-13-5-1-2-8-18-13)15-6-3-4-12-11-17-9-7-14(12)15/h1-9,11H,10H2.
What are the key properties of 1-isoquinolin-5-yl-2-pyridin-2-ylethanone?
1-isoquinolin-5-yl-2-pyridin-2-ylethanone has a molecular weight of 248.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-2-pyridin-2-ylethanone is sourced from PubChem (CID 62812997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).