2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one

C18H14N2O — CID 172784232

IUPAC2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1cncc2ccccc12
InChIInChI=1S/C18H14N2O/c21-18-16-8-4-1-5-13(16)9-10-20(18)17-12-19-11-14-6-2-3-7-15(14)17/h1-8,11-12H,9-10H2
InChIKeyOQYMEDBKHYOOCM-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.44
Rot. Bonds1

About 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one

2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 172784232) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one
PubChem CID172784232
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1cncc2ccccc12
InChIInChI=1S/C18H14N2O/c21-18-16-8-4-1-5-13(16)9-10-20(18)17-12-19-11-14-6-2-3-7-15(14)17/h1-8,11-12H,9-10H2
InChIKeyOQYMEDBKHYOOCM-UHFFFAOYSA-N
XLogP3.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-4-yl-7-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
CID 56942889
2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
CID 162411667
2-(2-amino-4-bromophenyl)-3,4-dihydroisoquinolin-1-one
CID 83084687
2-(5-amino-2,4-dimethylphenyl)-3,4-dihydroisoquinolin-1-one
CID 104757868
2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one
CID 107606922
6-isoquinolin-4-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
CID 58255551
2-(5-pyridin-2-yl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one
CID 175798971
1-naphthalen-1-ylpyrrolidine-2,3-dione
CID 54973508
2-[2-[1-(methylamino)ethyl]phenyl]-3,4-dihydroisoquinolin-1-one
CID 83091171
4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one
CID 168686565
2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 103057379
2,6-bis(1-oxo-3,4-dihydroisoquinolin-2-yl)-1,3-benzothiazole-5-carboxylic acid
CID 175305417

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one (CID 172784232) is 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1c1cncc2ccccc12.
What is the InChIKey of 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is OQYMEDBKHYOOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18-16-8-4-1-5-13(16)9-10-20(18)17-12-19-11-14-6-2-3-7-15(14)17/h1-8,11-12H,9-10H2.
What are the key properties of 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one?
2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 274.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 172784232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).